data_2glg_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 2glg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.69 -49.7 76.72 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.127 1.371 . . . . 0.0 112.132 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.8 p -65.56 -32.5 74.12 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.223 -0.923 . . . . 0.0 111.278 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -44.73 86.35 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.927 0.785 . . . . 0.0 109.047 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.02 -47.29 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.898 0.879 . . . . 0.0 109.151 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.12 -36.49 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.313 1.045 . . . . 0.0 112.275 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.51 57.68 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 125.561 1.553 . . . . 0.0 109.924 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.83 -48.09 82.54 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.882 -1.364 . . . . 0.0 109.325 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.42 -34.17 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.022 0.828 . . . . 0.0 111.343 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 m -61.63 -40.97 96.75 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.612 -1.305 . . . . 0.0 109.546 175.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -70.61 -39.87 73.5 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.71 -39.17 93.19 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 120.475 1.489 . . . . 0.0 108.555 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.43 -43.85 84.55 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.511 1.524 . . . . 0.0 106.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -59.71 -45.25 92.71 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.68 1.127 . . . . 0.0 111.38 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.328 2.7 pp -63.51 -35.51 80.7 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.09 1.314 . . . . 0.0 111.813 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.59 -43.96 88.09 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.924 -1.11 . . . . 0.0 108.984 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -59.29 -45.16 92.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.77 1.628 . . . . 0.0 109.539 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.21 -49.58 76.58 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.846 0.859 . . . . 0.0 111.04 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.88 -51.69 68.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.801 0.841 . . . . 0.0 111.245 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.31 94.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 112.82 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 m -65.27 -45.85 82.85 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.033 -1.042 . . . . 0.0 110.764 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.61 -39.1 93.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.816 0.846 . . . . 0.0 112.379 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -74.48 -44.24 52.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.673 0.789 . . . . 0.0 111.762 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.14 -28.28 60.59 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 115.786 1.075 . . . . 0.0 115.786 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -148.52 -36.58 0.19 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.096 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -176.491 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -60.08 -43.17 95.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.761 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -65.46 -30.03 70.76 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.543 1.519 . . . . 0.0 111.755 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -41.71 77.67 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.32 -42.62 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.79 -29.09 70.05 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.032 0.933 . . . . 0.0 109.256 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.17 26.28 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.31 -48.07 79.9 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.273 1.037 . . . . 0.0 109.357 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -58.59 -43.28 89.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.684 1.194 . . . . 0.0 110.524 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.2 m -61.15 -41.61 97.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 118.86 -0.59 . . . . 0.0 110.567 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.47 -40.41 81.02 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 118.625 -0.702 . . . . 0.0 110.515 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.13 -37.6 87.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 119.38 0.991 . . . . 0.0 109.323 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.67 -41.25 88.43 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.721 1.209 . . . . 0.0 109.277 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -62.34 -47.37 84.51 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.058 0.943 . . . . 0.0 110.14 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -54.21 -48.33 71.14 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.63 1.105 . . . . 0.0 110.898 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.29 4.3 pp -67.7 -34.63 77.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.654 -0.688 . . . . 0.0 111.637 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.43 -38.08 89.77 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.942 1.246 . . . . 0.0 108.996 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 m -64.14 -44.69 91.4 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.98 -41.96 84.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 117.513 -1.232 . . . . 0.0 111.238 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.96 -43.9 97.88 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 110.637 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.03 -48.5 81.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.671 0.788 . . . . 0.0 111.459 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -61.65 -44.98 95.96 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.518 -1.364 . . . . 0.0 110.723 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -63.29 -42.43 99.06 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.089 0.955 . . . . 0.0 112.775 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -74.49 -35.1 63.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.191 0.996 . . . . 0.0 112.83 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.11 -27.55 30.73 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -144.77 -34.0 0.37 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.565 0 CA-C-O 118.098 -1.39 . . . . 0.0 112.546 -176.806 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -60.06 -44.2 94.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.215 1.806 . . . . 0.0 112.828 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -66.04 -25.58 67.11 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.008 1.276 . . . . 0.0 110.66 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -34.31 74.68 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.932 1.242 . . . . 0.0 107.938 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.5 t -70.15 -40.5 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.386 -1.446 . . . . 0.0 107.498 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.65 -36.42 76.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.3 -40.76 91.96 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 127.111 2.291 . . . . 0.0 109.48 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.85 -51.93 65.09 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.426 1.613 . . . . 0.0 107.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.42 -38.98 72.3 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.994 0.815 . . . . 0.0 111.165 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -67.41 -35.11 78.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.616 1.167 . . . . 0.0 110.048 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -71.18 -40.96 70.94 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 18.2 mm-40 -64.93 -35.3 80.71 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.132 1.333 . . . . 0.0 107.84 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -65.56 -45.0 85.03 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -60.99 -40.7 94.48 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.588 1.155 . . . . 0.0 109.341 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 89.8 mttt -62.55 -50.17 72.38 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.811 -1.181 . . . . 0.0 109.141 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.341 2.3 pp -63.73 -31.93 73.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.313 0.96 . . . . 0.0 110.935 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.27 -41.15 85.99 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.8 m -68.43 -40.36 81.22 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.07 0.85 . . . . 0.0 109.527 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.22 -51.19 70.33 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.1 -52.34 65.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.575 1.15 . . . . 0.0 112.171 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.19 94.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.158 1.383 . . . . 0.0 113.294 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.8 m -62.79 -44.8 95.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.318 1.047 . . . . 0.0 109.655 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -63.21 -55.09 27.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.241 1.416 . . . . 0.0 111.386 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.7 p -66.0 -30.19 70.69 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.552 1.069 . . . . 0.0 111.72 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.69 -23.53 55.75 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 118.643 -1.087 . . . . 0.0 114.314 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -161.18 -43.34 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 0 C-N-CA 125.797 1.665 . . . . 0.0 117.114 -177.456 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 m -59.47 -44.6 92.99 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.884 0.874 . . . . 0.0 112.477 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.3 p -66.8 -26.62 67.03 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.61 1.095 . . . . 0.0 110.779 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -35.78 67.94 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.456 1.026 . . . . 0.0 108.433 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.56 -40.13 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.95 -30.71 71.77 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.34 -47.33 80.69 Favored Glycine 0 C--N 1.346 1.126 0 C-N-CA 125.403 1.478 . . . . 0.0 109.994 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.12 -48.03 83.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.911 0.885 . . . . 0.0 108.725 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.26 -39.3 82.41 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.712 0.805 . . . . 0.0 110.806 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -64.68 -39.02 92.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.537 0.735 . . . . 0.0 109.235 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.87 -40.66 83.58 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.189 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 3.5 mm-40 -62.85 -36.41 83.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.172 1.351 . . . . 0.0 109.437 177.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.05 -43.0 79.66 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -64.86 -34.37 78.22 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.498 -0.751 . . . . 0.0 110.474 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 88.8 mttt -63.3 -50.43 70.11 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.229 -1.544 . . . . 0.0 107.455 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 2.6 pp -64.25 -35.35 80.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.179 0.9 . . . . 0.0 111.321 177.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.24 -35.08 79.67 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.871 1.214 . . . . 0.0 108.993 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 m -66.27 -47.02 75.05 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -60.36 -39.98 89.12 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 111.393 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -64.48 -40.71 96.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.13 0.972 . . . . 0.0 110.021 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.34 94.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.009 0.924 . . . . 0.0 109.135 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.0 m -62.2 -48.64 79.1 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.512 -0.742 . . . . 0.0 109.804 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.45 -39.72 80.63 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.042 1.337 . . . . 0.0 112.794 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.6 p -78.56 -43.07 27.51 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -27.52 48.09 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -145.34 -27.21 0.46 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.366 0 CA-C-N 119.655 1.116 . . . . 0.0 114.177 -178.668 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -60.72 -47.34 86.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.615 1.166 . . . . 0.0 111.251 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.6 p -67.09 -27.91 67.74 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.562 1.528 . . . . 0.0 110.196 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -38.83 74.6 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.28 -40.53 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.51 -36.86 81.7 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.651 1.569 . . . . 0.0 108.655 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.4 92.14 Favored Glycine 0 CA--C 1.547 2.038 0 N-CA-C 108.069 -2.012 . . . . 0.0 108.069 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -63.08 -42.16 99.58 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.969 1.385 . . . . 0.0 108.858 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.29 -33.34 75.6 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.012 1.278 . . . . 0.0 109.228 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.5 m -69.74 -36.44 75.85 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.09 -38.58 79.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.177 1.391 . . . . 0.0 108.451 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.68 -35.97 81.4 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.993 1.27 . . . . 0.0 108.931 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 tp -67.3 -45.2 77.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.9 1.28 . . . . 0.0 108.351 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -65.29 -39.28 92.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.188 0.995 . . . . 0.0 110.886 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -59.23 -56.05 27.04 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.091 1.756 . . . . 0.0 108.366 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.308 3.6 pp -60.64 -37.13 80.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.92 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.95 -32.85 74.37 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.112 1.323 . . . . 0.0 108.685 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -70.33 -42.17 72.25 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.462 1.505 . . . . 0.0 108.172 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.18 -40.99 97.28 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.446 -0.783 . . . . 0.0 109.002 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.84 -43.03 99.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.647 1.179 . . . . 0.0 109.623 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.18 86.21 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.236 0.925 . . . . 0.0 110.68 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 m -67.37 -39.07 85.64 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.848 0.859 . . . . 0.0 109.276 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -43.49 81.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.048 1.739 . . . . 0.0 113.094 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.5 p -73.37 -35.14 65.9 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.71 1.141 . . . . 0.0 111.237 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.85 -33.91 35.88 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 120.8 -1.187 . . . . 0.0 115.523 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.4 p -145.06 -40.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 -178.195 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -56.06 -51.45 67.79 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.037 1.335 . . . . 0.0 112.113 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -65.86 -30.01 70.55 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.599 1.09 . . . . 0.0 110.879 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -39.12 75.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.165 0.893 . . . . 0.0 110.394 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.56 -53.74 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.038 1.335 . . . . 0.0 107.784 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.4 -35.25 69.79 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.352 0.978 . . . . 0.0 110.95 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.47 70.65 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.834 1.683 . . . . 0.0 109.455 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.82 -41.18 97.92 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.295 1.048 . . . . 0.0 110.165 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.42 -42.07 98.16 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.371 0.987 . . . . 0.0 108.349 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -65.01 -35.26 80.62 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.925 1.29 . . . . 0.0 111.017 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.81 -50.97 53.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.078 1.351 . . . . 0.0 108.481 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.44 -32.94 74.53 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.525 1.057 . . . . 0.0 110.169 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.17 -42.56 93.56 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.418 1.087 . . . . 0.0 108.151 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.09 -39.4 89.97 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.159 -0.963 . . . . 0.0 109.834 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.78 -52.52 62.88 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.689 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -61.23 -35.82 78.26 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.408 1.458 . . . . 0.0 111.172 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.17 -35.43 80.77 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.23 1.377 . . . . 0.0 109.076 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.04 -41.68 73.91 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.441 1.496 . . . . 0.0 110.209 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.2 -43.64 97.59 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.84 -41.02 99.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 108.096 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.651 1.18 . . . . 0.0 108.971 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -68.81 -45.11 72.09 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.635 0.774 . . . . 0.0 108.988 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.28 -38.36 83.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.814 1.246 . . . . 0.0 112.415 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 p -82.46 -29.45 30.61 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.105 0.962 . . . . 0.0 113.447 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 -40.62 10.05 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 119.626 1.103 . . . . 0.0 114.75 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -132.44 -37.3 1.08 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.856 0 N-CA-C 116.704 1.441 . . . . 0.0 116.704 -177.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -49.33 73.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.793 1.237 . . . . 0.0 111.396 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -65.6 -29.24 69.81 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.679 1.127 . . . . 0.0 110.892 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -45.33 78.2 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.14 -38.47 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.6 tp -62.68 -35.66 80.4 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.964 0.802 . . . . 0.0 109.15 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.49 67.34 Favored Glycine 0 N--CA 1.466 0.653 0 C-N-CA 125.059 1.314 . . . . 0.0 109.964 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.64 -46.83 87.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.945 1.698 . . . . 0.0 108.618 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -41.92 98.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 109.705 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -62.0 -34.07 75.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.941 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -69.66 -40.74 76.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.213 0.915 . . . . 0.0 109.472 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.84 -37.07 86.38 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.617 1.099 . . . . 0.0 108.215 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.83 -42.98 94.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.689 1.196 . . . . 0.0 109.477 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -61.08 -41.06 95.93 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.704 1.602 . . . . 0.0 110.0 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.4 -55.12 34.96 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.221 1.008 . . . . 0.0 109.174 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.31 3.3 pp -63.95 -30.99 72.03 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -64.94 -38.72 91.91 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.809 1.186 . . . . 0.0 108.913 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -63.08 -45.19 93.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.533 1.133 . . . . 0.0 109.779 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -62.69 -42.62 99.73 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.624 -0.672 . . . . 0.0 110.436 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.86 -46.49 89.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.633 1.173 . . . . 0.0 110.485 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.52 93.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.083 0.953 . . . . 0.0 111.466 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -64.25 -42.18 96.62 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.535 -0.728 . . . . 0.0 109.767 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.13 -43.44 98.38 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.389 -0.82 . . . . 0.0 112.821 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -78.01 -16.56 57.99 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.557 1.072 . . . . 0.0 113.814 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.85 -46.78 4.71 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.334 1.445 . . . . 0.0 113.925 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.3 p -131.54 -30.23 1.69 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 C-N-CA 124.226 0.917 . . . . 0.0 114.792 -177.762 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -58.28 -44.24 88.38 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.584 1.153 . . . . 0.0 113.014 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.3 p -65.39 -35.17 80.13 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.26 0.936 . . . . 0.0 110.061 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -35.49 76.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.751 -1.218 . . . . 0.0 109.936 177.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.24 -46.65 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.2 -37.34 79.97 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 0.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -45.13 88.82 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.35 -42.26 98.91 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.228 1.514 . . . . 0.0 110.554 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.08 -45.03 94.27 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.183 0.993 . . . . 0.0 108.495 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 m -63.07 -37.59 87.81 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.46 1.104 . . . . 0.0 111.406 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.64 -45.01 65.96 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 117.604 -1.189 . . . . 0.0 110.951 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -61.08 -37.52 82.97 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 121.437 1.926 . . . . 0.0 108.795 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.84 -49.72 71.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.58 -39.56 84.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.085 -1.635 . . . . 0.0 111.076 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.79 -54.05 47.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.764 0.826 . . . . 0.0 110.002 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.1 pp -64.5 -33.7 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.59 1.086 . . . . 0.0 113.02 177.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.68 -38.39 87.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.726 0.81 . . . . 0.0 110.57 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -52.91 -51.76 60.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.745 1.218 . . . . 0.0 111.441 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.89 -37.87 85.2 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.53 -35.38 80.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.758 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.2 98.16 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 123.735 0.814 . . . . 0.0 108.871 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -66.01 -43.69 86.95 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.137 -0.977 . . . . 0.0 108.552 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -56.12 -68.94 0.16 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.398 -1.439 . . . . 0.0 112.25 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -75.37 -3.62 34.65 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 117.917 -1.04 . . . . 0.0 113.567 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.16 -23.51 14.61 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.565 1.079 . . . . 0.0 113.224 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -160.2 -41.09 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.236 0 C-N-CA 127.091 2.282 . . . . 0.0 116.306 -177.831 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -59.57 -47.22 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.763 1.225 . . . . 0.0 112.895 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -63.56 -32.21 73.61 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.668 1.122 . . . . 0.0 111.601 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -46.29 81.07 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.3 -46.97 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.735 -0.603 . . . . 0.0 111.41 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.79 -39.88 82.39 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.578 1.151 . . . . 0.0 108.884 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.18 -48.84 29.66 Favored Glycine 0 CA--C 1.555 2.557 0 N-CA-C 108.23 -1.948 . . . . 0.0 108.23 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.11 -44.21 97.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.62 1.21 . . . . 0.0 110.709 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.84 -39.34 93.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.654 1.116 . . . . 0.0 108.986 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -62.31 -36.75 83.14 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 119.865 1.212 . . . . 0.0 108.975 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.88 -44.52 80.67 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 72.5 mm-40 -62.31 -39.79 94.18 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 120.688 -1.257 . . . . 0.0 108.397 177.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.51 -41.53 98.52 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -62.61 -35.52 79.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.673 1.189 . . . . 0.0 109.212 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.9 mttt -60.69 -54.05 50.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.104 -0.998 . . . . 0.0 109.66 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.257 4.4 pp -68.03 -32.42 72.77 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.198 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -61.47 -38.4 87.12 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.15 1.341 . . . . 0.0 110.21 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -61.75 -48.07 82.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.246 0.619 . . . . 0.0 109.431 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.93 -37.59 87.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.79 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.3 -41.32 96.91 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.5 96.02 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 119.599 1.09 . . . . 0.0 110.338 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.7 m -66.15 -45.13 82.05 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -55.3 -58.05 9.31 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.313 2.245 . . . . 0.0 113.525 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 p -78.03 -27.1 48.72 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.16 -25.03 41.74 Favored Glycine 0 CA--C 1.548 2.095 0 CA-C-O 118.796 -1.002 . . . . 0.0 115.101 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -145.84 -36.99 0.26 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.443 0 CA-C-O 117.571 -1.683 . . . . 0.0 115.421 -178.036 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.3 tp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -58.29 -47.66 82.93 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.101 1.36 . . . . 0.0 112.331 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 p -65.01 -35.06 79.98 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 119.343 0.974 . . . . 0.0 110.024 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -38.37 79.24 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.12 -50.09 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.98 -37.83 69.59 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.474 1.11 . . . . 0.0 111.259 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -49.03 64.46 Favored Glycine 0 CA--C 1.543 1.827 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.61 -40.48 97.08 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.595 -0.944 . . . . 0.0 110.421 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.38 -40.17 93.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.304 -0.873 . . . . 0.0 108.932 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 m -61.81 -37.5 84.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.624 0.769 . . . . 0.0 110.429 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -70.13 -46.45 64.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.309 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 47.5 mm-40 -61.31 -36.58 80.49 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.634 1.106 . . . . 0.0 110.989 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -44.98 90.19 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.876 1.271 . . . . 0.0 108.715 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -58.74 -36.32 74.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.232 1.013 . . . . 0.0 111.795 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 95.2 mttt -58.9 -53.18 61.25 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.139 -1.601 . . . . 0.0 109.376 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.333 3.2 pp -67.09 -30.08 70.01 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -65.48 -39.1 91.54 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 119.621 -1.924 . . . . 0.0 107.765 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -65.35 -48.11 74.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.143 1.377 . . . . 0.0 109.173 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -61.15 -36.29 79.37 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.124 -0.985 . . . . 0.0 111.225 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.56 -38.56 91.43 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 119.348 0.976 . . . . 0.0 110.66 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.68 94.78 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -62.01 -48.85 78.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.193 -0.942 . . . . 0.0 109.547 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -56.7 -43.7 80.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.348 1.459 . . . . 0.0 113.708 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -78.36 -34.31 48.44 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.798 1.239 . . . . 0.0 113.574 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.58 -24.41 28.38 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -146.4 -33.51 0.31 Allowed 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.664 1.732 . . . . 0.0 115.472 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.486 0 CA-C-O 118.602 -1.11 . . . . 0.0 115.183 -177.118 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -58.14 -48.82 79.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.366 1.066 . . . . 0.0 112.265 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -65.56 -31.92 73.23 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.681 -1.262 . . . . 0.0 111.656 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -42.31 81.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.262 0.937 . . . . 0.0 108.667 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.61 -43.22 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 116.955 -1.498 . . . . 0.0 108.455 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.15 -36.94 76.15 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.581 1.537 . . . . 0.0 110.757 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -47.39 84.46 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -63.36 -42.26 98.88 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.67 0.788 . . . . 0.0 110.002 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.46 -37.83 88.8 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.182 0.901 . . . . 0.0 108.801 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -66.06 -36.19 82.55 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.422 1.089 . . . . 0.0 110.079 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.38 -50.88 62.02 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.154 0.982 . . . . 0.0 108.429 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 59.3 mm-40 -60.71 -37.39 81.52 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.047 -1.033 . . . . 0.0 110.553 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.88 -44.94 88.03 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -59.49 -37.52 78.46 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.326 1.05 . . . . 0.0 110.413 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 94.8 mttt -63.21 -54.37 38.53 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.944 -1.097 . . . . 0.0 108.115 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.348 4.1 pp -64.14 -30.45 71.51 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.748 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.16 -40.78 96.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.815 1.189 . . . . 0.0 107.994 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -63.23 -43.68 97.39 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.15 1.38 . . . . 0.0 109.524 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -65.9 -38.77 89.6 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.541 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.9 -38.04 85.51 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 120.217 1.371 . . . . 0.0 109.321 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.71 89.06 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -63.42 -45.12 92.45 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.096 0.958 . . . . 0.0 109.234 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.53 -43.03 99.61 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.296 1.438 . . . . 0.0 112.749 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -77.93 -36.45 49.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.863 0.865 . . . . 0.0 112.709 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.34 52.04 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 117.157 1.623 . . . . 0.0 117.157 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.0 p -145.84 -42.08 0.21 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.323 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.595 -176.875 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 CA--C 1.541 0.615 0 CA-C-O 120.5 0.191 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -57.15 -48.42 78.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.362 1.465 . . . . 0.0 113.015 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.099 1.318 . . . . 0.0 111.955 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.07 80.49 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.236 -0.915 . . . . 0.0 109.356 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.48 -51.8 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.902 1.281 . . . . 0.0 109.881 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.53 -36.16 71.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.239 1.015 . . . . 0.0 110.614 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.28 67.12 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -61.34 -47.95 83.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 117.642 0.721 . . . . 0.0 110.265 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.98 -40.67 81.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.846 0.858 . . . . 0.0 110.721 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.2 m -62.35 -40.69 97.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.348 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.78 -41.44 87.68 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.382 0.992 . . . . 0.0 110.072 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.09 -39.05 91.14 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.302 -0.874 . . . . 0.0 109.351 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.27 -39.54 86.06 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -60.2 -32.25 70.91 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.789 1.235 . . . . 0.0 110.271 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.81 -57.26 11.52 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.299 1.0 OUTLIER -65.64 -30.64 71.38 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.803 0.729 . . . . 0.0 110.657 179.804 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -65.09 -38.81 91.93 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.9 m -65.93 -44.39 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.074 1.35 . . . . 0.0 108.348 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -61.17 -41.34 96.6 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 119.093 0.861 . . . . 0.0 109.012 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.56 -34.65 78.74 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.518 1.127 . . . . 0.0 109.754 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.08 90.15 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.659 1.183 . . . . 0.0 108.27 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -62.33 -48.23 80.74 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.55 -36.9 81.92 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -86.38 -28.39 23.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.752 -1.217 . . . . 0.0 113.941 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -12.56 52.13 Favored Glycine 0 CA--C 1.544 1.863 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -149.56 -42.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.895 0 C-N-CA 124.203 0.906 . . . . 0.0 115.062 -177.77 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -57.17 -51.92 67.38 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.288 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -62.3 -30.27 71.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.101 1.318 . . . . 0.0 112.441 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -46.77 72.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.491 0.587 . . . . 0.0 110.575 176.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.86 -50.22 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.676 1.19 . . . . 0.0 109.803 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.3 mt -56.96 -52.58 64.65 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.705 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.96 -50.6 50.3 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.742 1.163 . . . . 0.0 113.319 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.05 -47.47 85.74 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.851 0.825 . . . . 0.0 110.958 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.16 -38.86 92.85 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.701 0.682 . . . . 0.0 110.127 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -64.54 -34.38 78.1 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.361 -1.304 . . . . 0.0 108.029 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -70.01 -41.21 74.61 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.494 -1.241 . . . . 0.0 108.823 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.68 -39.04 90.87 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.48 -40.46 95.73 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.919 0.887 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -64.74 -43.14 94.31 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.167 1.387 . . . . 0.0 110.315 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.59 -49.45 77.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.396 1.078 . . . . 0.0 108.736 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.335 4.4 pp -64.26 -30.98 72.01 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.173 0.897 . . . . 0.0 111.104 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.85 -37.87 85.29 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -62.37 -42.65 99.58 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -65.16 -43.69 90.96 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.066 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.17 -45.53 92.79 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.858 1.208 . . . . 0.0 109.877 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.03 96.67 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.709 1.204 . . . . 0.0 109.283 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -61.91 -43.14 99.46 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.89 -48.75 79.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.263 1.825 . . . . 0.0 113.25 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -74.38 -35.94 63.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.66 -21.61 55.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.954 1.141 . . . . 0.0 115.954 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.1 p -150.31 -41.52 0.13 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.238 0 C-N-CA 125.44 1.495 . . . . 0.0 114.865 -177.464 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -60.28 -47.76 84.63 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.324 1.05 . . . . 0.0 111.56 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -64.14 -32.4 73.95 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.243 1.383 . . . . 0.0 110.259 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -42.04 83.99 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.93 -45.39 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.275 1.03 . . . . 0.0 108.659 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.07 -43.63 91.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.954 1.252 . . . . 0.0 109.388 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -44.14 98.14 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.0 -40.28 94.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.85 0.86 . . . . 0.0 110.388 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.63 -47.79 84.65 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -62.7 -33.34 74.88 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.007 0.923 . . . . 0.0 111.031 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -69.15 -52.5 27.48 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.808 1.185 . . . . 0.0 108.351 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.32 -34.88 77.47 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.428 1.013 . . . . 0.0 110.711 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.66 -46.34 90.16 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 125.412 1.485 . . . . 0.0 108.58 176.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -63.46 -42.5 98.63 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.131 0.878 . . . . 0.0 110.349 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.78 -50.09 73.36 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.103 -0.998 . . . . 0.0 110.159 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 4.4 pp -70.06 -28.49 65.48 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.181 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -62.89 -42.25 99.71 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.422 1.489 . . . . 0.0 107.448 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -63.49 -43.64 96.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -62.03 -44.37 96.86 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.512 1.051 . . . . 0.0 111.921 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.48 -47.73 83.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.869 1.268 . . . . 0.0 109.921 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.62 91.04 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.105 0.962 . . . . 0.0 111.172 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -62.59 -48.58 78.82 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.185 0.994 . . . . 0.0 110.358 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -54.67 -37.97 66.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.134 0.974 . . . . 0.0 113.574 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -87.05 -39.73 15.35 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.71 -32.44 41.21 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -140.22 -19.87 0.87 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 C-N-CA 125.239 1.399 . . . . 0.0 113.341 -179.655 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -58.61 -49.28 78.07 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.752 0.821 . . . . 0.0 112.17 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -63.72 -34.83 78.75 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.204 0.911 . . . . 0.0 110.238 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -40.61 87.66 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.75 -49.02 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.24 -41.63 84.57 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 119.362 0.983 . . . . 0.0 110.0 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -51.13 55.24 Favored Glycine 0 CA--C 1.545 1.915 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.4 -50.92 71.96 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.759 0.824 . . . . 0.0 109.938 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.49 -46.64 66.68 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.534 1.061 . . . . 0.0 110.289 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 m -60.94 -48.33 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.856 0.862 . . . . 0.0 111.963 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.52 -49.9 74.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 10.4 mm-40 -63.12 -35.56 80.67 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.577 1.081 . . . . 0.0 110.842 178.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.37 -36.07 80.62 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.062 -1.024 . . . . 0.0 108.309 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.83 -41.82 82.42 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.112 -0.993 . . . . 0.0 109.501 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 87.1 mttt -59.42 -47.55 85.03 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.74 -1.225 . . . . 0.0 108.253 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.314 4.0 pp -65.26 -29.34 70.12 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 117.619 -1.181 . . . . 0.0 110.717 177.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -65.07 -44.13 89.95 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 120.655 1.57 . . . . 0.0 107.662 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -62.34 -37.85 87.22 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -47.09 86.07 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 125.438 1.495 . . . . 0.0 109.048 176.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.14 -45.6 92.48 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 125.073 1.349 . . . . 0.0 110.887 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.29 89.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.78 -1.2 . . . . 0.0 112.309 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -65.86 -40.54 91.76 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.047 -1.033 . . . . 0.0 110.311 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -61.85 -55.54 28.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.433 1.893 . . . . 0.0 111.139 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.0 p -65.71 -37.8 87.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 117.5 -1.238 . . . . 0.0 113.451 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.24 -27.58 30.28 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -143.2 -36.53 0.37 Allowed 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.417 0 CA-C-N 120.269 1.395 . . . . 0.0 113.09 179.457 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.0 tp . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -59.88 -49.99 75.53 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 p -60.58 -38.5 84.82 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 119.58 1.082 . . . . 0.0 111.913 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -41.02 99.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.559 0.618 . . . . 0.0 110.94 177.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.17 -48.38 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.043 0.937 . . . . 0.0 111.377 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.48 -42.15 86.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.315 1.046 . . . . 0.0 112.642 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.84 -51.81 56.7 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.18 -52.39 65.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.934 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -52.62 -43.24 65.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.115 0.566 . . . . 0.0 112.179 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.79 -47.33 81.32 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 118.654 -0.689 . . . . 0.0 112.29 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.48 -39.41 77.7 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 117.666 -1.159 . . . . 0.0 111.776 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 7.3 mm-40 -62.54 -40.17 95.95 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.894 1.679 . . . . 0.0 108.362 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tp -68.5 -30.56 69.42 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -74.64 -38.47 62.48 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 89.0 mttt -58.41 -51.29 70.45 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.068 -1.645 . . . . 0.0 107.764 -179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.273 3.3 pp -62.01 -29.42 70.26 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.929 0.768 . . . . 0.0 112.458 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.19 -37.95 81.47 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -67.41 -45.29 76.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.732 1.213 . . . . 0.0 108.603 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -60.06 -42.6 94.86 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.12 -55.31 30.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.542 1.537 . . . . 0.0 108.447 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.33 -42.72 78.14 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.315 1.446 . . . . 0.0 111.889 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -64.31 -39.45 93.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.444 -0.785 . . . . 0.0 110.503 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -69.0 -56.06 8.93 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.733 -1.229 . . . . 0.0 112.807 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -63.3 -28.89 70.32 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.3 -12.11 49.74 Favored Glycine 0 N--CA 1.479 1.5 0 C-N-CA 125.424 1.487 . . . . 0.0 114.72 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -153.76 -52.33 0.1 Allowed 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 120.35 2.075 . . . . 0.0 115.164 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.297 0 C-N-CA 125.761 1.648 . . . . 0.0 116.623 -177.334 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 111.239 0.088 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -56.73 -44.04 81.24 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.572 1.149 . . . . 0.0 113.395 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -67.64 -31.71 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.19 1.359 . . . . 0.0 110.649 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -42.68 74.43 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.015 0.825 . . . . 0.0 109.237 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -52.33 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.037 1.335 . . . . 0.0 109.661 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.78 -44.98 86.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.218 1.007 . . . . 0.0 110.66 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.65 -49.18 81.36 Favored Glycine 0 C--N 1.343 0.955 0 C-N-CA 124.141 0.876 . . . . 0.0 111.46 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -62.02 -51.71 66.92 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 117.689 -1.148 . . . . 0.0 109.641 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.22 -37.01 74.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 120.307 1.412 . . . . 0.0 112.192 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.52 -34.63 77.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.128 1.331 . . . . 0.0 108.461 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -69.12 -43.41 74.5 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 16.8 mm-40 -65.25 -32.07 73.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.388 1.449 . . . . 0.0 108.322 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.88 -39.58 94.51 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.273 1.429 . . . . 0.0 108.756 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -70.66 -36.57 73.44 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 124.993 1.317 . . . . 0.0 109.147 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 88.5 mttt -65.1 -47.56 76.78 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 116.938 -1.506 . . . . 0.0 109.319 176.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.312 3.8 pp -63.92 -30.36 71.45 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.195 0.907 . . . . 0.0 110.28 176.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -63.88 -42.18 97.56 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.357 -1.719 . . . . 0.0 106.357 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -70.99 -38.03 72.7 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.764 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -62.31 -40.17 95.44 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.578 1.535 . . . . 0.0 112.224 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.18 -48.8 80.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.509 1.124 . . . . 0.0 110.271 176.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.95 86.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.012 0.925 . . . . 0.0 112.253 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.2 m -67.81 -38.42 83.27 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.018 -1.676 . . . . 0.0 111.541 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -64.76 -51.64 61.21 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 119.664 -1.897 . . . . 0.0 109.929 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 p -62.97 -30.57 71.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -14.51 36.54 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 119.639 1.109 . . . . 0.0 115.202 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 m -145.92 -50.17 0.23 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.26 2.03 . . . . 0.0 113.511 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.139 0 C-N-CA 125.545 1.545 . . . . 0.0 115.012 -177.251 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 99.4 mt . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 119.196 -0.43 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -58.79 -44.72 90.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.717 0.807 . . . . 0.0 111.855 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -66.42 -30.83 71.28 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.18 1.354 . . . . 0.0 110.561 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -41.0 85.25 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.46 -46.4 96.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.552 1.141 . . . . 0.0 108.968 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.4 -40.99 83.88 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.82 -1.175 . . . . 0.0 110.699 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.1 -51.4 58.66 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.7 -45.47 94.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.719 0.807 . . . . 0.0 111.109 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.53 -43.81 93.36 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.124 1.329 . . . . 0.0 111.065 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.9 -41.16 97.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.078 0.853 . . . . 0.0 110.341 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.55 -48.29 75.6 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.565 1.146 . . . . 0.0 110.116 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.44 -35.47 81.01 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.432 1.469 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.96 -41.77 90.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.658 0.783 . . . . 0.0 109.355 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -68.94 -33.98 74.62 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.314 -0.866 . . . . 0.0 110.03 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -65.02 -53.14 50.69 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.641 -1.287 . . . . 0.0 109.923 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.27 4.2 pp -59.65 -37.38 78.55 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.271 1.396 . . . . 0.0 110.778 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -63.51 -42.59 98.48 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -67.8 -45.79 73.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.682 1.593 . . . . 0.0 110.007 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -55.38 -43.9 75.6 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.291 1.036 . . . . 0.0 110.226 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.15 -43.9 98.16 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.375 0.67 . . . . 0.0 109.484 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -49.37 71.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.051 0.941 . . . . 0.0 111.99 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 m -57.85 -41.01 81.5 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.282 0.946 . . . . 0.0 111.003 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.09 -64.77 0.79 Allowed 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.092 -1.005 . . . . 0.0 111.701 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.5 p -58.54 -33.8 70.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.97 -10.83 68.63 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 116.104 1.202 . . . . 0.0 116.104 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -158.96 -48.06 0.06 Allowed 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.838 1.819 . . . . 0.0 114.817 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -177.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -55.86 -46.7 78.18 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.14 0.976 . . . . 0.0 112.4 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -68.8 -31.4 70.38 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.992 1.269 . . . . 0.0 110.398 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -41.69 75.15 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.246 1.385 . . . . 0.0 109.445 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.04 -44.81 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.0 -41.34 87.42 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.235 0.925 . . . . 0.0 110.827 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.74 -38.99 94.7 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -71.74 -44.21 64.49 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 125.055 1.342 . . . . 0.0 108.166 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.25 -42.22 81.09 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 119.951 -1.718 . . . . 0.0 109.078 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.803 1.183 . . . . 0.0 111.175 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.16 -49.3 72.64 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.49 -41.03 93.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.476 -0.765 . . . . 0.0 110.718 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.11 -28.97 69.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.454 1.501 . . . . 0.0 111.537 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -86.48 -40.16 15.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.671 0.788 . . . . 0.0 110.293 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -55.81 -51.63 66.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.095 1.758 . . . . 0.0 110.566 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.254 3.3 pp -60.03 -29.77 68.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.14 -0.975 . . . . 0.0 113.109 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.27 -35.86 71.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -66.5 -42.37 87.47 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.02 -34.88 77.03 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.753 0.706 . . . . 0.0 111.102 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.33 -38.6 91.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.495 1.118 . . . . 0.0 109.245 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.2 96.45 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.788 0.722 . . . . 0.0 109.589 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -67.01 -44.06 81.29 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.123 -0.985 . . . . 0.0 110.326 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.46 -42.69 88.01 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.347 1.859 . . . . 0.0 112.757 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 p -84.12 -31.07 25.44 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.542 1.537 . . . . 0.0 113.903 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.51 -8.78 57.18 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -157.0 -28.03 0.09 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 120.698 2.249 . . . . 0.0 115.244 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.527 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 179.839 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 118.722 -0.656 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 -49.48 77.63 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.402 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.9 p -63.01 -37.44 87.2 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.405 1.002 . . . . 0.0 111.512 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -41.29 96.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.121 0.873 . . . . 0.0 109.955 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.2 t -64.1 -47.89 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.51 1.524 . . . . 0.0 108.89 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.33 -36.85 76.43 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.136 0.88 . . . . 0.0 110.055 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.72 79.17 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.106 1.336 . . . . 0.0 110.123 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -64.14 -41.42 97.2 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.261 -1.141 . . . . 0.0 110.711 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.61 -42.99 99.65 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 119.558 1.072 . . . . 0.0 108.517 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 m -62.93 -37.69 88.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.125 0.97 . . . . 0.0 110.469 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.51 -51.19 61.79 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 117.873 -1.06 . . . . 0.0 109.283 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.25 -38.22 82.81 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.469 1.486 . . . . 0.0 110.687 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 mt -65.2 -40.98 94.91 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.265 1.026 . . . . 0.0 110.139 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.94 -32.7 65.45 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.822 -1.174 . . . . 0.0 109.9 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.9 -48.26 79.73 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 117.016 -1.468 . . . . 0.0 108.093 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.306 4.6 pp -61.62 -35.12 76.98 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.337 1.426 . . . . 0.0 111.202 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.57 -38.04 89.64 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.217 1.371 . . . . 0.0 107.875 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 m -66.54 -43.31 85.51 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.753 1.221 . . . . 0.0 110.508 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -57.96 -46.06 85.69 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.574 1.079 . . . . 0.0 110.671 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.39 -40.15 93.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 110.376 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.9 73.15 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 119.532 1.06 . . . . 0.0 108.867 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.2 m -58.56 -40.31 82.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.672 -1.267 . . . . 0.0 109.56 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -67.64 -58.01 5.42 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 119.291 -2.131 . . . . 0.0 109.753 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.1 p -66.36 -13.27 60.35 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.89 -19.53 9.04 Favored Glycine 0 N--CA 1.481 1.675 0 C-N-CA 125.752 1.644 . . . . 0.0 114.63 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -146.91 -47.39 0.18 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.77 1.285 . . . . 0.0 113.723 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.993 0 C-N-CA 125.953 1.74 . . . . 0.0 115.561 -177.46 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 m -60.25 -46.54 89.43 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.993 179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.8 p -61.4 -32.79 72.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.067 1.758 . . . . 0.0 111.171 177.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -41.22 70.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.314 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.81 -44.75 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 124.755 1.222 . . . . 0.0 108.565 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.55 -44.98 96.06 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.4 94.05 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.097 0.856 . . . . 0.0 111.088 177.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.19 -45.27 94.1 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.472 1.109 . . . . 0.0 111.466 176.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.08 -41.45 98.19 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.43 -0.793 . . . . 0.0 109.142 177.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -36.85 84.45 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.552 176.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -66.79 -47.0 73.48 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.069 1.348 . . . . 0.0 108.483 177.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.45 -37.97 87.94 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.661 1.119 . . . . 0.0 109.358 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.62 -42.58 95.4 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.07 -38.06 89.7 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.17 0.988 . . . . 0.0 111.374 177.201 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -61.4 -53.65 53.85 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.653 1.181 . . . . 0.0 109.12 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 4.0 pp -64.59 -33.54 76.17 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.073 177.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -64.81 -34.29 78.0 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.728 1.603 . . . . 0.0 109.307 176.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -68.58 -50.43 51.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.622 1.569 . . . . 0.0 107.687 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -57.34 -41.45 80.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.538 0.735 . . . . 0.0 110.757 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.42 -39.96 92.68 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 110.898 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.9 71.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 109.01 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 m -58.44 -40.37 82.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.77 0.828 . . . . 0.0 110.893 177.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.27 -64.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.133 1.773 . . . . 0.0 110.113 178.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -61.88 -23.91 66.6 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.375 1.47 . . . . 0.0 114.578 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.67 -20.39 22.08 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 119.463 1.029 . . . . 0.0 114.583 178.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 m -146.48 -49.06 0.2 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.5 1.65 . . . . 0.0 114.802 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.472 0 C-N-CA 126.034 1.778 . . . . 0.0 116.5 -175.62 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.6 mt . . . . . 0 CA--C 1.54 0.596 0 CA-C-O 118.142 -0.932 . . . . 0.0 113.311 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -63.24 -48.81 76.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.307 1.412 . . . . 0.0 110.187 176.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -64.42 -27.28 68.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.523 1.056 . . . . 0.0 110.404 177.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.73 68.2 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.661 1.119 . . . . 0.0 110.367 177.196 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.1 -45.01 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.95 -34.0 76.99 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.857 -0.592 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.48 92.07 Favored Glycine 0 N--CA 1.474 1.217 0 C-N-CA 125.006 1.289 . . . . 0.0 111.462 175.103 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.99 -42.72 90.68 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.755 1.222 . . . . 0.0 108.224 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 mt -66.04 -47.9 72.83 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -57.31 -33.39 67.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.416 1.086 . . . . 0.0 112.232 177.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.58 -52.04 62.73 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.169 0.988 . . . . 0.0 109.6 176.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.76 -38.04 89.0 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 118.765 0.711 . . . . 0.0 111.413 177.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -65.48 -47.24 76.75 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 0.0 110.732 177.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -63.32 -36.09 82.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.029 0.831 . . . . 0.0 110.954 177.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -61.64 -55.64 28.4 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 118.045 -0.979 . . . . 0.0 108.409 177.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.302 3.9 pp -60.77 -35.0 75.32 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.429 1.013 . . . . 0.0 112.581 177.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.52 -42.77 98.45 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.861 1.21 . . . . 0.0 108.916 177.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -65.95 -42.27 90.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.413 1.485 . . . . 0.0 110.712 177.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.13 97.79 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.916 0.886 . . . . 0.0 110.184 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.0 -42.54 98.65 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.624 0.77 . . . . 0.0 110.438 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.79 90.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.793 0.837 . . . . 0.0 110.339 177.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.1 m -62.5 -40.34 96.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.229 1.012 . . . . 0.0 111.069 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.26 -48.41 70.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 0.0 112.863 177.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 p -66.7 -19.33 65.74 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.77 -28.4 7.02 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 118.703 -1.054 . . . . 0.0 114.466 178.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -142.16 -48.48 0.36 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.733 0 C-N-CA 124.99 1.281 . . . . 0.0 116.231 -176.735 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -63.85 -42.73 97.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.764 176.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.4 p -65.54 -29.49 70.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.402 1.91 . . . . 0.0 111.681 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -40.94 89.18 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.616 1.098 . . . . 0.0 109.376 174.424 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.22 -46.6 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.633 1.173 . . . . 0.0 108.071 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -35.73 75.94 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 121.368 -0.833 . . . . 0.0 109.993 177.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.4 -48.43 82.32 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 124.892 1.234 . . . . 0.0 110.636 177.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.41 -48.24 81.31 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 123.908 0.883 . . . . 0.0 109.044 176.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.87 98.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.357 0.981 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -65.02 -32.7 74.56 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.786 1.234 . . . . 0.0 111.146 178.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -65.73 -51.05 62.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.43 1.092 . . . . 0.0 108.457 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.27 -32.38 73.08 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.23 177.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.84 -46.56 71.45 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.042 1.337 . . . . 0.0 108.3 176.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -62.51 -37.71 87.11 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.068 0.849 . . . . 0.0 109.159 177.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.46 -52.32 64.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 117.522 -1.228 . . . . 0.0 107.726 178.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.346 3.9 pp -62.1 -34.55 76.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.114 1.325 . . . . 0.0 111.889 177.545 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.84 -40.64 98.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -67.56 -53.3 29.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.524 1.53 . . . . 0.0 110.17 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -58.46 -28.61 65.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.299 1.04 . . . . 0.0 113.197 177.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.61 -36.52 83.02 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.574 1.534 . . . . 0.0 109.092 177.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.55 69.5 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -63.14 -36.67 84.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -0.938 . . . . 0.0 111.392 176.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -69.12 -53.61 19.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.215 1.806 . . . . 0.0 110.547 178.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.8 p -63.83 -28.65 70.0 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.13 -29.4 11.5 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-O 118.544 -1.142 . . . . 0.0 114.459 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 m -135.72 -51.81 0.74 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.654 1.727 . . . . 0.0 113.902 -177.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.866 0 C-N-CA 127.971 2.7 . . . . 0.0 115.222 -174.846 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 120.775 0.321 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -59.05 -47.61 84.61 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.684 1.193 . . . . 0.0 112.147 178.061 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 p -65.37 -28.74 69.49 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.419 1.463 . . . . 0.0 111.011 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.25 73.68 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.72 -46.22 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.103 0.961 . . . . 0.0 109.601 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.98 -31.87 71.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.462 0.705 . . . . 0.0 110.791 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.21 81.72 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 176.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.15 -45.52 88.12 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.41 -47.61 81.26 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.083 0.953 . . . . 0.0 110.438 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -59.43 -40.39 86.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.616 1.166 . . . . 0.0 111.832 177.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.92 -51.1 66.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.999 0.92 . . . . 0.0 109.941 177.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 7.0 mm-40 -61.61 -34.15 75.15 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.776 -0.577 . . . . 0.0 112.221 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.62 -44.9 89.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.371 0.668 . . . . 0.0 109.246 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -37.19 86.42 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 122.681 0.392 . . . . 0.0 110.555 177.635 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.5 mttt -63.41 -55.05 27.48 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.975 176.862 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.271 3.5 pp -61.56 -33.31 73.64 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.457 1.026 . . . . 0.0 112.74 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.19 -43.74 97.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.572 1.078 . . . . 0.0 109.041 176.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -65.97 -51.85 54.82 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.088 1.355 . . . . 0.0 109.578 178.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -61.6 -29.8 70.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.637 0.775 . . . . 0.0 112.205 178.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.9 -41.89 99.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.647 1.112 . . . . 0.0 108.897 176.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.96 91.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.447 0.699 . . . . 0.0 109.295 177.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -59.08 -46.07 89.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.718 . . . . 0.0 111.02 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.98 -53.36 26.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.807 0.843 . . . . 0.0 111.946 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.1 p -67.24 -17.37 64.78 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.54 -30.5 4.62 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 115.769 1.068 . . . . 0.0 115.769 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -131.62 -46.47 0.97 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -177.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.648 0 C-N-CA 124.931 1.253 . . . . 0.0 114.823 -177.195 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.2 tp . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 119.144 -0.455 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -58.8 -46.82 86.7 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.766 177.332 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.6 1.545 . . . . 0.0 110.552 177.316 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -46.32 76.68 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.278 0.945 . . . . 0.0 108.541 177.122 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.5 -38.46 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 177.1 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.4 -35.58 77.92 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.9 1.28 . . . . 0.0 108.925 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.59 -46.88 72.77 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 177.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.68 -37.98 89.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.054 1.427 . . . . 0.0 110.141 177.032 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.81 -29.34 67.67 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.971 -1.08 . . . . 0.0 109.247 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m -70.31 -33.71 71.85 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -68.85 -40.5 79.32 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 175.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.6 -35.76 81.56 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 120.288 1.404 . . . . 0.0 110.672 176.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.64 -44.56 77.65 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.775 -1.203 . . . . 0.0 108.153 175.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -63.59 -34.22 77.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 120.516 -1.365 . . . . 0.0 111.301 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.26 -55.61 23.39 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pp -60.91 -34.29 74.45 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.627 1.103 . . . . 0.0 112.226 177.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.4 -43.66 93.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.626 1.557 . . . . 0.0 108.781 177.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -62.43 -47.97 81.73 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.25 1.42 . . . . 0.0 109.562 177.431 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -58.57 -47.2 85.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.643 0.777 . . . . 0.0 110.471 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 mt -58.7 -42.43 88.57 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.515 1.126 . . . . 0.0 111.275 177.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.91 63.25 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.789 0.835 . . . . 0.0 112.061 177.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -64.83 -38.86 92.39 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.472 -0.767 . . . . 0.0 111.743 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -62.57 -57.56 10.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.167 1.387 . . . . 0.0 112.115 178.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -67.03 -24.71 66.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.03 -36.65 4.9 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.613 1.005 . . . . 0.0 115.613 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -124.41 -44.46 2.0 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.571 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.181 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 -176.942 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.7 tp . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 m -60.59 -48.5 81.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.253 1.021 . . . . 0.0 112.256 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -62.88 -31.04 72.0 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.02 1.282 . . . . 0.0 112.049 177.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -47.98 78.88 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.803 0.729 . . . . 0.0 109.291 177.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.03 -38.8 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 O-C-N 121.748 -0.595 . . . . 0.0 109.997 177.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.43 -44.12 92.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.737 0.815 . . . . 0.0 111.552 177.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.29 96.84 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 176.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.89 -38.8 89.71 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 121.467 -1.02 . . . . 0.0 109.965 175.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.56 -38.33 89.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -59.87 -36.71 77.45 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.696 1.134 . . . . 0.0 108.731 178.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.2 -44.6 68.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.175 -0.953 . . . . 0.0 109.24 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.86 -35.9 77.78 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.963 -1.086 . . . . 0.0 110.314 177.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.8 -43.27 89.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.72 1.208 . . . . 0.0 109.774 175.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.13 -38.05 87.45 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.221 1.008 . . . . 0.0 110.083 176.316 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.57 -51.27 63.68 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-O 117.254 -1.355 . . . . 0.0 107.687 178.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.294 4.0 pp -63.25 -31.86 73.11 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 120.521 1.509 . . . . 0.0 112.07 177.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.36 -37.87 88.94 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.381 1.446 . . . . 0.0 109.324 176.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -64.72 -45.81 84.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.74 1.616 . . . . 0.0 108.933 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -64.26 -40.87 96.89 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.565 -1.334 . . . . 0.0 111.187 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.74 -46.93 87.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.179 1.392 . . . . 0.0 109.251 177.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.24 94.13 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 124.22 1.008 . . . . 0.0 110.349 177.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -64.48 -47.57 78.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.255 0.622 . . . . 0.0 111.239 177.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.8 -45.9 91.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.065 1.346 . . . . 0.0 111.759 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -68.17 -54.09 20.42 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -26.15 64.36 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.899 1.52 . . . . 0.0 116.899 -177.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -131.25 -39.59 1.16 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.072 1.436 . . . . 0.0 114.702 -177.408 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 O-C-N 121.504 -0.748 . . . . 0.0 114.051 -179.167 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -59.61 -46.23 89.59 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.4 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -66.57 -32.79 74.36 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.117 1.326 . . . . 0.0 110.929 176.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -41.87 96.02 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.209 0.913 . . . . 0.0 109.123 176.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.4 -44.64 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.637 1.175 . . . . 0.0 108.894 176.469 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.45 -43.87 84.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.486 1.114 . . . . 0.0 110.118 177.459 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.94 -40.7 95.7 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.72 -40.57 76.16 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.804 176.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.12 -42.31 94.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 118.994 0.815 . . . . 0.0 109.401 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.985 176.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -68.02 -45.21 74.61 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 110.013 177.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -59.83 -39.89 86.63 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.598 1.544 . . . . 0.0 110.477 176.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.06 -43.24 92.9 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.05 -37.87 86.59 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 110.027 177.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.19 -49.86 70.38 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.03 -42.74 85.97 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.558 1.143 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.9 -40.92 97.1 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.76 1.224 . . . . 0.0 110.685 176.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -62.15 -47.56 84.01 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 125.133 1.373 . . . . 0.0 110.404 177.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.39 -45.04 89.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.43 0.692 . . . . 0.0 110.712 177.53 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.67 -42.2 98.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.639 1.176 . . . . 0.0 111.314 177.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.96 91.18 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.491 1.041 . . . . 0.0 109.762 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -61.16 -48.56 81.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.323 0.649 . . . . 0.0 109.74 177.425 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.18 -68.34 0.33 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.849 1.66 . . . . 0.0 111.776 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 p -63.79 -21.25 66.33 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.277 1.431 . . . . 0.0 113.094 -176.136 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.52 -28.71 15.81 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.113 0.863 . . . . 0.0 115.194 177.155 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 m -154.23 -36.57 0.1 Allowed 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.217 -1.755 . . . . 0.0 115.719 177.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.387 0 C-N-CA 124.85 1.214 . . . . 0.0 114.93 -178.933 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 118.188 -0.911 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -59.21 -50.1 75.31 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 117.359 -1.305 . . . . 0.0 109.87 177.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -66.53 -26.83 67.33 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.367 1.439 . . . . 0.0 111.346 177.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -44.71 68.08 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.808 1.185 . . . . 0.0 108.299 178.11 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.07 -44.38 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.64 -38.61 78.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.891 0.877 . . . . 0.0 109.74 177.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.29 -40.69 94.79 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 178.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.66 -37.98 88.03 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.806 1.303 . . . . 0.0 108.641 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.73 -39.78 91.48 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.272 -0.892 . . . . 0.0 109.373 175.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.6 m -59.72 -42.34 92.86 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.76 -1.213 . . . . 0.0 108.754 176.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.77 -49.12 74.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.183 1.393 . . . . 0.0 109.171 177.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.35 -40.65 91.46 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.095 1.316 . . . . 0.0 110.575 177.432 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.21 -38.88 86.02 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.423 1.489 . . . . 0.0 110.096 177.202 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -64.42 -42.25 96.15 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.056 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.68 -45.92 87.91 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.02 -45.89 78.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.827 1.251 . . . . 0.0 111.021 177.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.19 -39.5 92.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.596 1.159 . . . . 0.0 109.464 177.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -67.09 -40.73 87.0 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.716 1.207 . . . . 0.0 110.568 177.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -65.47 -44.13 88.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 109.09 177.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.8 -52.95 63.53 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.718 1.607 . . . . 0.0 109.24 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.66 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.281 1.432 . . . . 0.0 111.476 177.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.4 m -57.7 -48.44 79.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 0.0 111.122 178.475 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.94 -54.9 15.17 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.787 -1.196 . . . . 0.0 112.363 -178.056 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.3 p -68.84 -17.9 64.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.19 -22.63 7.41 Favored Glycine 0 N--CA 1.486 2.002 0 C-N-CA 125.151 1.357 . . . . 0.0 114.57 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -141.86 -49.12 0.38 Allowed 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.17 1.485 . . . . 0.0 114.865 -177.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 C-N-CA 126.994 2.235 . . . . 0.0 118.479 -177.078 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 118.955 -0.545 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -56.78 -48.98 76.66 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.885 0.874 . . . . 0.0 111.908 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -67.13 -28.91 68.54 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.19 1.359 . . . . 0.0 111.857 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -48.08 70.25 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 119.251 0.932 . . . . 0.0 109.593 175.511 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.89 -43.26 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 125.193 1.397 . . . . 0.0 108.848 177.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.79 -40.75 93.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.22 1.008 . . . . 0.0 110.472 177.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.85 -45.58 93.85 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 177.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -59.01 -45.77 89.85 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 176.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.91 -38.47 78.99 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.297 1.439 . . . . 0.0 111.521 177.179 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -59.56 -39.66 84.76 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.144 1.338 . . . . 0.0 109.729 177.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.4 -42.48 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.929 0.892 . . . . 0.0 109.929 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.85 -40.57 84.66 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.276 0.944 . . . . 0.0 109.23 177.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.81 -41.87 99.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.055 1.342 . . . . 0.0 108.771 176.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -41.59 97.15 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.806 0.842 . . . . 0.0 110.249 176.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -64.65 -45.69 85.7 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.38 -46.24 89.21 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.763 1.225 . . . . 0.0 111.597 177.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -59.41 -38.86 81.67 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.569 1.148 . . . . 0.0 110.043 177.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -64.78 -48.85 72.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.638 1.175 . . . . 0.0 109.269 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.49 -45.48 88.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.782 0.833 . . . . 0.0 109.816 178.13 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.06 -40.02 83.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.484 1.514 . . . . 0.0 111.448 177.606 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.04 97.65 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.68 0.673 . . . . 0.0 110.211 177.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -65.86 -45.39 82.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.954 -1.091 . . . . 0.0 110.186 177.049 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -55.95 -60.96 2.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.585 1.554 . . . . 0.0 111.491 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -65.47 -13.12 58.12 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.83 -39.25 2.37 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 119.655 1.116 . . . . 0.0 115.777 178.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 m -137.38 0.9 2.35 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.239 0 C-N-CA 124.524 1.059 . . . . 0.0 112.315 -179.957 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 118.977 -0.535 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m -60.26 -46.02 91.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.109 177.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.0 p -68.62 -27.36 65.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.727 1.149 . . . . 0.0 111.145 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.7 -43.65 75.61 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 176.652 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.86 -41.04 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.49 -34.81 71.34 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.559 1.144 . . . . 0.0 109.244 177.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.5 -48.32 82.8 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 176.413 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -45.39 94.82 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.413 -1.051 . . . . 0.0 109.562 176.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.97 -41.31 96.13 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.953 0.901 . . . . 0.0 110.632 177.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.0 m -62.61 -41.69 99.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.458 1.103 . . . . 0.0 108.764 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -66.44 -43.39 85.77 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.943 1.297 . . . . 0.0 109.338 178.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.35 -40.76 95.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.634 1.106 . . . . 0.0 108.845 177.693 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.12 -39.12 89.66 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 123.646 0.779 . . . . 0.0 109.469 176.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -62.87 -40.32 97.14 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.875 0.87 . . . . 0.0 109.881 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -62.09 -48.72 78.93 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.89 -51.76 66.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.253 1.421 . . . . 0.0 109.853 177.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -55.3 -39.94 70.49 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.042 1.337 . . . . 0.0 110.254 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -69.15 -41.55 77.15 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.335 0.654 . . . . 0.0 110.003 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -60.58 -26.56 67.04 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.118 -0.989 . . . . 0.0 112.182 177.299 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.22 -32.54 70.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.891 176.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.26 65.08 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 118.748 0.704 . . . . 0.0 109.613 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -61.4 -38.35 86.75 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.245 1.018 . . . . 0.0 111.523 177.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.83 -60.39 2.56 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.645 -0.659 . . . . 0.0 112.022 177.278 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -60.4 -30.72 69.78 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.593 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.96 -14.44 62.74 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.974 0.797 . . . . 0.0 114.936 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.6 m -157.1 -50.14 0.07 Allowed 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.527 1.663 . . . . 0.0 114.314 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.646 0 C-N-CA 125.162 1.363 . . . . 0.0 116.429 -177.519 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 119.278 -0.392 . . . . 0.0 111.706 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -56.07 -48.81 75.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.425 1.09 . . . . 0.0 112.397 178.111 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -66.95 -32.93 74.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.45 1.477 . . . . 0.0 111.475 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.53 87.05 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.071 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.0 -39.62 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 118.043 -0.979 . . . . 0.0 109.178 177.293 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.75 -32.32 71.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.901 1.228 . . . . 0.0 111.064 177.412 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.05 -50.59 51.04 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 107.759 -2.136 . . . . 0.0 107.759 176.536 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -58.43 -46.68 86.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.222 1.011 . . . . 0.0 109.696 177.15 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.99 -31.87 69.18 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.331 1.052 . . . . 0.0 111.47 177.713 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.5 m -63.16 -37.48 87.38 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.89 -38.01 58.27 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.698 -1.144 . . . . 0.0 109.038 176.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -60.58 -37.16 80.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.9 1.227 . . . . 0.0 108.619 177.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.48 -49.83 69.83 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -57.67 -43.94 85.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.491 1.516 . . . . 0.0 111.329 179.676 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -58.43 -57.13 14.3 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.19 1.396 . . . . 0.0 107.817 177.484 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -60.5 -42.82 97.15 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.093 0.957 . . . . 0.0 111.899 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -58.87 -41.82 88.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.878 1.217 . . . . 0.0 110.34 176.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.7 m -64.62 -45.95 84.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.432 0.693 . . . . 0.0 110.111 177.298 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -59.89 -43.67 94.67 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.657 -0.652 . . . . 0.0 110.747 177.224 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.27 -39.85 88.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.507 1.123 . . . . 0.0 111.215 178.39 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.89 75.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.085 0.857 . . . . 0.0 109.962 177.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -62.24 -42.27 99.17 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.318 -0.864 . . . . 0.0 111.393 177.387 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -64.69 -41.83 95.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.202 1.001 . . . . 0.0 113.043 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -81.61 -26.54 34.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.08 -21.93 19.04 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 116.711 1.444 . . . . 0.0 116.711 178.035 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.6 m -134.05 -48.22 0.79 Allowed 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.565 -1.55 . . . . 0.0 114.991 -178.036 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -177.618 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 119.832 -0.128 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -57.54 -45.62 84.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 126.174 1.79 . . . . 0.0 112.461 -178.346 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -68.85 -32.72 72.61 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.393 0.997 . . . . 0.0 111.508 177.625 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -41.55 79.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.17 -47.07 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.316 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 tp -57.44 -37.27 72.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.618 1.167 . . . . 0.0 110.178 177.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.78 77.45 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 120.763 -1.21 . . . . 0.0 110.577 176.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.31 -40.38 95.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.285 1.542 . . . . 0.0 110.362 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.31 -41.69 98.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.13 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -62.31 -35.6 79.57 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.51 1.124 . . . . 0.0 109.801 177.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.91 -46.6 71.13 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.79 1.177 . . . . 0.0 108.209 177.697 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.37 -37.42 87.19 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 119.933 1.242 . . . . 0.0 109.26 178.272 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.95 -45.69 91.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.388 1.075 . . . . 0.0 108.149 176.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -56.92 -46.53 81.93 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 109.638 178.238 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.01 -55.37 34.81 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.305 1.042 . . . . 0.0 109.497 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 tp -51.44 -50.52 59.57 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.944 1.698 . . . . 0.0 112.433 177.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -61.38 -39.06 89.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.071 0.948 . . . . 0.0 111.08 177.387 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -67.28 -38.98 85.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.032 0.933 . . . . 0.0 110.689 177.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -62.71 -46.83 86.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.202 -0.936 . . . . 0.0 108.493 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.7 -36.62 79.23 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.24 1.016 . . . . 0.0 111.381 177.237 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -48.32 76.62 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.01 -1.056 . . . . 0.0 109.535 176.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.7 m -61.68 -39.69 92.34 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.314 -1.491 . . . . 0.0 109.415 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.71 -57.39 7.23 Favored 'General case' 0 CA--C 1.562 1.425 0 O-C-N 120.513 -1.367 . . . . 0.0 111.572 177.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.2 p -63.95 -26.02 68.4 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -178.277 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.72 -9.9 45.05 Favored Glycine 0 C--N 1.347 1.145 0 C-N-CA 125.27 1.414 . . . . 0.0 115.832 178.491 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -151.67 -51.95 0.12 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 119.669 -2.077 . . . . 0.0 115.005 177.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.804 0 C-N-CA 126.156 1.836 . . . . 0.0 117.324 -178.326 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.09 -0.481 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -58.19 -50.18 74.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.44 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.1 p -63.86 -34.04 77.05 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 120.08 1.309 . . . . 0.0 110.317 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -45.68 77.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.413 1.006 . . . . 0.0 109.07 -179.578 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.75 -40.94 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 119.947 -1.721 . . . . 0.0 109.279 177.474 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.78 -31.44 72.41 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.615 1.098 . . . . 0.0 109.331 175.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.45 -47.42 63.01 Favored Glycine 0 CA--C 1.543 1.83 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 177.318 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.67 -46.36 89.27 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.375 1.088 . . . . 0.0 109.103 176.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.71 -41.62 91.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.654 0.661 . . . . 0.0 110.253 176.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -62.12 -38.38 88.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.451 176.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.41 -39.64 85.54 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.077 0.853 . . . . 0.0 108.833 176.9 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 21.0 mm-40 -67.12 -34.79 78.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.225 0.92 . . . . 0.0 109.267 177.472 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.5 -37.97 83.63 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 176.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -66.57 -42.04 87.63 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.867 1.267 . . . . 0.0 108.032 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.7 mttt -62.92 -44.85 94.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.544 1.137 . . . . 0.0 107.95 177.155 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.63 -47.52 85.26 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.42 1.088 . . . . 0.0 110.178 177.244 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.01 -37.25 84.17 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 120.04 1.291 . . . . 0.0 110.918 176.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -66.47 -40.26 89.24 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.718 1.207 . . . . 0.0 108.286 178.88 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.14 -38.19 81.9 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.794 177.188 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -41.61 95.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.137 1.335 . . . . 0.0 108.854 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.21 92.06 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.951 0.796 . . . . 0.0 109.697 177.53 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -60.36 -52.8 63.71 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.936 1.294 . . . . 0.0 109.776 177.434 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -55.28 -52.69 62.61 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.504 2.322 . . . . 0.0 111.973 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -73.84 -38.44 64.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.559 1.144 . . . . 0.0 112.912 -177.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.62 -22.44 46.82 Favored Glycine 0 N--CA 1.475 1.237 0 O-C-N 120.638 -1.289 . . . . 0.0 116.217 -176.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 m -148.93 -37.45 0.17 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -179.477 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.263 0 C-N-CA 126.003 1.763 . . . . 0.0 115.304 -177.297 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -59.31 -47.89 83.68 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.4 177.554 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -65.06 -26.38 68.22 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.028 0.831 . . . . 0.0 111.439 176.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -45.89 70.17 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.53 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.73 -41.52 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 123.703 0.801 . . . . 0.0 109.036 176.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.65 -41.18 89.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.246 1.018 . . . . 0.0 111.19 177.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.51 88.6 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 125.39 1.471 . . . . 0.0 109.465 178.329 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.59 -49.3 78.29 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.66 -43.19 84.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.18 0.992 . . . . 0.0 110.931 177.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.8 m -60.65 -39.16 87.28 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.546 1.521 . . . . 0.0 109.731 177.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -69.03 -43.95 73.7 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.332 1.053 . . . . 0.0 109.264 177.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 11.3 mm-40 -65.71 -35.59 81.19 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.7 -1.25 . . . . 0.0 110.229 177.041 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.98 -38.57 79.42 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.633 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -62.99 -40.91 99.17 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 107.377 178.012 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 87.1 mttt -67.34 -41.96 84.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.977 0.911 . . . . 0.0 109.484 176.319 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.11 -45.06 96.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.206 1.402 . . . . 0.0 110.037 177.398 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -64.3 -34.3 77.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 109.948 176.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -65.86 -48.32 71.96 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.89 -45.48 78.6 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.327 1.051 . . . . 0.0 110.097 176.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.35 -38.55 89.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.681 0.793 . . . . 0.0 110.9 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.54 92.32 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.862 0.865 . . . . 0.0 109.332 177.271 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -65.3 -44.24 88.54 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.225 0.92 . . . . 0.0 109.259 177.513 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.64 -49.16 78.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.253 1.821 . . . . 0.0 112.736 178.261 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -90.09 -14.25 34.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -177.183 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.06 -18.91 11.35 Favored Glycine 0 CA--C 1.546 1.978 0 C-N-CA 125.923 1.725 . . . . 0.0 115.497 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -140.61 -50.72 0.46 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 C-N-CA 125.68 1.61 . . . . 0.0 116.695 -177.069 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 CA--C 1.544 0.729 0 CA-C-O 118.733 -0.651 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -62.86 -41.37 99.34 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.75 0.705 . . . . 0.0 111.175 176.179 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.2 p -66.25 -27.57 68.05 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.407 1.458 . . . . 0.0 109.352 176.902 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.94 74.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.626 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.39 -38.67 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -64.44 -30.7 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.363 1.065 . . . . 0.0 108.684 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.54 -47.09 43.9 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 107.609 -2.196 . . . . 0.0 107.609 177.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.89 -45.61 91.97 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.806 1.242 . . . . 0.0 108.43 176.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.17 -44.94 96.51 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.17 -38.75 87.6 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.81 0.844 . . . . 0.0 110.974 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -67.96 -48.67 65.23 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.044 1.338 . . . . 0.0 110.66 177.349 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -62.08 -36.53 81.95 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 119.83 1.195 . . . . 0.0 109.481 177.176 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.02 -38.43 85.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.837 0.855 . . . . 0.0 109.252 176.261 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -64.58 -43.27 94.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.449 1.5 . . . . 0.0 108.198 177.729 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.32 -45.78 86.41 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.324 1.05 . . . . 0.0 108.289 177.244 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.48 -47.73 84.86 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.099 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -62.64 -31.46 72.33 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 110.315 177.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -67.34 -46.3 73.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.21 -37.08 83.97 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.85 -39.55 94.73 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.042 1.292 . . . . 0.0 108.97 178.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.76 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.58 177.059 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.2 m -61.89 -39.35 91.66 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.317 -0.864 . . . . 0.0 111.551 177.279 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -62.87 -56.23 19.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.138 1.775 . . . . 0.0 110.989 177.296 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.1 p -69.17 -33.13 72.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 -9.47 59.6 Favored Glycine 0 CA--C 1.531 1.081 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.8 m -151.12 -46.09 0.12 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.345 1.573 . . . . 0.0 113.973 178.056 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.144 0 C-N-CA 124.372 0.987 . . . . 0.0 114.924 -177.91 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -57.46 -48.38 79.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.582 1.153 . . . . 0.0 112.161 178.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -67.46 -29.09 68.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.639 1.108 . . . . 0.0 112.016 178.103 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -42.57 77.26 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.069 1.304 . . . . 0.0 108.872 176.374 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.08 -45.24 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.246 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.01 -33.76 73.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.877 1.271 . . . . 0.0 109.782 178.136 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.18 57.37 Favored Glycine 0 N--CA 1.473 1.139 0 C-N-CA 125.732 1.634 . . . . 0.0 109.366 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.0 -43.4 95.21 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.262 1.031 . . . . 0.0 108.803 176.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.06 -43.13 96.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.98 0.912 . . . . 0.0 108.74 179.222 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.1 m -60.83 -41.48 95.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.741 0.816 . . . . 0.0 109.652 177.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -64.28 -46.69 82.56 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.436 1.494 . . . . 0.0 110.141 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.5 -41.47 94.36 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.85 1.204 . . . . 0.0 109.317 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.84 -42.05 97.68 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 118.864 0.756 . . . . 0.0 109.504 176.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.53 -41.56 94.72 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.813 1.245 . . . . 0.0 110.393 177.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.56 -45.55 89.97 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.511 1.125 . . . . 0.0 108.029 176.7 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -58.32 -48.54 80.22 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.028 0.931 . . . . 0.0 108.971 177.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.44 -35.28 75.46 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 124.416 1.086 . . . . 0.0 108.802 -178.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -62.42 -47.47 83.93 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.428 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -62.57 -37.13 84.98 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 118.532 -0.747 . . . . 0.0 111.532 176.691 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.65 -33.97 77.13 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 118.698 -0.668 . . . . 0.0 109.919 177.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.09 72.74 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -38.25 86.18 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 117.849 0.295 . . . . 0.0 110.254 177.725 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -62.04 -55.77 25.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.057 -1.027 . . . . 0.0 111.422 176.348 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -66.95 -27.21 67.28 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -178.41 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.95 -28.63 9.2 Favored Glycine 0 N--CA 1.477 1.431 0 CA-C-N 119.526 1.057 . . . . 0.0 114.175 -177.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -135.41 -45.25 0.69 Allowed 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.818 1.309 . . . . 0.0 113.388 -176.242 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.432 0 C-N-CA 125.986 1.755 . . . . 0.0 114.799 -177.081 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.6 mt . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -58.39 -50.11 74.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.401 1.001 . . . . 0.0 111.407 177.409 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.4 p -65.97 -33.29 75.47 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.366 -0.833 . . . . 0.0 110.604 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -40.25 88.07 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.772 0.715 . . . . 0.0 109.108 177.607 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.63 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.713 1.205 . . . . 0.0 108.206 177.338 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 tp -65.42 -34.67 78.84 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.62 -43.7 91.47 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 175.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.67 -42.59 99.71 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.73 1.212 . . . . 0.0 107.991 177.179 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.81 -46.69 88.45 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 m -60.52 -38.35 84.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.5 1.045 . . . . 0.0 110.61 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.71 -51.47 64.84 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.166 1.348 . . . . 0.0 109.658 177.458 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.16 -34.04 77.43 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.965 -1.084 . . . . 0.0 111.738 178.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.65 -39.53 84.6 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.458 1.103 . . . . 0.0 108.946 176.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -61.37 -45.16 95.54 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.591 1.156 . . . . 0.0 108.132 177.699 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -63.03 -49.73 73.46 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.761 0.824 . . . . 0.0 109.593 177.1 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.63 -46.14 81.15 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.057 1.343 . . . . 0.0 111.539 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -66.83 -27.48 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.213 1.005 . . . . 0.0 111.574 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -72.2 -41.84 66.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.259 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 177.181 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.32 -34.97 79.36 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.298 1.039 . . . . 0.0 109.396 -179.668 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.93 92.18 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.767 1.227 . . . . 0.0 108.117 178.338 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.4 m -67.51 -41.34 84.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.443 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -60.82 -53.87 52.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.309 1.444 . . . . 0.0 112.069 177.621 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -66.43 34.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 128.758 2.823 . . . . 0.0 115.066 178.469 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.29 -75.32 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 C-N-CA 126.729 2.109 . . . . 0.0 111.209 -179.254 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 m -85.25 -15.9 41.97 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.197 1.399 . . . . 0.0 114.575 -179.032 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.681 0 CA-C-N 119.795 1.18 . . . . 0.0 114.463 -178.414 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 118.783 -0.627 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -62.45 -41.01 98.43 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.205 0.911 . . . . 0.0 110.838 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -68.62 -30.65 69.42 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 120.4 1.455 . . . . 0.0 109.962 176.337 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -39.97 91.84 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -65.58 -45.97 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.88 -39.53 81.69 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.208 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.15 87.87 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 117.801 -1.555 . . . . 0.0 109.631 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.73 -42.85 97.83 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.738 1.269 . . . . 0.0 110.642 177.34 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.77 -42.18 98.65 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.462 1.028 . . . . 0.0 108.834 177.235 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -65.68 -33.21 75.36 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.559 -1.21 . . . . 0.0 109.56 177.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -72.72 -38.32 67.5 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.968 175.577 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.03 -38.68 91.97 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 121.162 1.801 . . . . 0.0 107.4 176.142 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.67 -41.89 87.44 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.488 -1.383 . . . . 0.0 108.423 177.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -63.09 -39.07 93.64 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.357 1.463 . . . . 0.0 108.722 177.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.26 -48.05 74.58 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.149 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.2 -39.36 89.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.679 177.367 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.25 -27.59 68.07 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.756 1.222 . . . . 0.0 110.208 176.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.1 m -69.3 -48.06 62.67 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.63 -33.23 75.46 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.823 -0.548 . . . . 0.0 110.87 177.121 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.37 -43.43 97.65 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.985 1.314 . . . . 0.0 108.747 176.757 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.35 96.28 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.069 0.85 . . . . 0.0 109.844 177.407 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.24 -46.71 87.63 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.44 -0.788 . . . . 0.0 110.295 177.371 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -58.21 -58.19 9.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.22 1.408 . . . . 0.0 112.619 179.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.5 p -61.71 -5.15 1.76 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.645 2.378 . . . . 0.0 114.701 -176.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.35 -48.02 0.12 Allowed Glycine 0 CA--C 1.533 1.18 0 CA-C-N 119.982 1.265 . . . . 0.0 114.611 177.283 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -110.6 -2.83 16.22 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -178.321 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -177.786 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.78 -46.61 77.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.625 1.17 . . . . 0.0 112.066 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 p -66.99 -24.6 66.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.954 1.252 . . . . 0.0 110.942 176.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -37.73 64.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.511 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.02 -44.06 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.28 -46.25 83.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.562 1.545 . . . . 0.0 108.102 176.917 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.76 82.87 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.376 1.465 . . . . 0.0 110.024 179.111 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.5 -52.25 66.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.361 1.064 . . . . 0.0 109.936 177.551 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.52 -47.75 72.74 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.256 1.023 . . . . 0.0 111.304 178.153 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.4 m -63.02 -35.88 81.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.472 0.709 . . . . 0.0 111.463 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.84 -40.76 68.83 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.477 1.035 . . . . 0.0 109.511 177.654 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.49 -34.11 77.49 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 119.764 1.165 . . . . 0.0 108.412 177.427 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.25 -41.24 81.42 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.61 -39.48 91.41 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.163 0.985 . . . . 0.0 109.166 177.099 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -65.47 -43.68 89.5 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.464 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.62 -44.0 96.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.454 1.101 . . . . 0.0 108.989 178.649 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.29 -37.66 86.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.784 1.234 . . . . 0.0 108.939 177.108 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -67.33 -51.21 55.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.841 1.256 . . . . 0.0 108.993 178.438 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -58.12 -37.76 75.19 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.268 1.027 . . . . 0.0 110.732 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.49 -41.24 98.68 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.166 0.986 . . . . 0.0 109.658 177.733 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.02 78.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.377 1.071 . . . . 0.0 109.299 176.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.0 m -58.25 -44.67 88.43 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.712 -1.242 . . . . 0.0 110.274 177.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.77 -44.97 91.85 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.067 1.347 . . . . 0.0 112.726 178.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -74.87 -28.75 60.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -32.39 7.74 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 119.201 0.909 . . . . 0.0 115.336 -178.741 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -131.6 -33.21 1.44 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.952 0 CA-C-N 119.058 0.845 . . . . 0.0 114.176 -177.883 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 118.833 -0.603 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.74 -50.75 69.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.276 1.031 . . . . 0.0 111.906 177.789 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.0 p -67.44 -27.13 66.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.465 1.03 . . . . 0.0 111.652 177.442 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -44.97 68.03 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.634 1.106 . . . . 0.0 108.694 176.299 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.73 -38.95 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.476 1.11 . . . . 0.0 108.358 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.6 -38.04 89.62 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 121.075 -1.015 . . . . 0.0 108.416 178.044 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.65 -43.76 98.64 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 109.159 -1.577 . . . . 0.0 109.159 176.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.72 -46.02 87.32 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.055 -1.45 . . . . 0.0 108.343 176.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.9 -40.28 79.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.421 1.464 . . . . 0.0 110.118 177.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.0 m -64.65 -37.76 88.68 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.345 0.975 . . . . 0.0 109.199 177.512 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -68.27 -43.69 77.23 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.628 177.078 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.4 -36.16 79.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.041 1.292 . . . . 0.0 110.426 175.791 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -67.49 -44.17 79.16 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.099 0.96 . . . . 0.0 108.889 176.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -66.27 -36.66 83.56 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 120.221 1.373 . . . . 0.0 108.703 178.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.43 -46.23 87.28 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.018 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.94 -47.8 79.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.513 1.525 . . . . 0.0 109.989 177.41 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -60.51 -39.16 86.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.457 1.026 . . . . 0.0 110.824 176.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -65.82 -43.81 87.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.742 1.217 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -67.1 -40.35 86.87 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.649 -0.657 . . . . 0.0 109.257 177.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.77 -38.98 90.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.57 1.548 . . . . 0.0 109.596 177.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.85 87.97 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.61 0.764 . . . . 0.0 109.03 177.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 m -65.32 -44.02 89.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.453 1.101 . . . . 0.0 110.111 177.014 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -60.38 -56.24 23.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.075 2.15 . . . . 0.0 111.493 177.127 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.6 p -74.01 -30.42 62.44 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.908 1.283 . . . . 0.0 114.145 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.35 -11.15 54.89 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 116.584 1.394 . . . . 0.0 116.584 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.8 m -148.4 -47.49 0.15 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.854 -1.968 . . . . 0.0 114.168 177.578 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 C-N-CA 124.142 0.877 . . . . 0.0 114.58 -178.116 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 CA--C 1.538 0.506 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.61 -43.6 93.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.292 0.951 . . . . 0.0 111.75 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p -67.56 -33.32 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 110.093 177.395 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 -40.4 81.47 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.636 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.92 -46.26 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.338 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 tp -57.67 -43.0 84.7 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.924 1.238 . . . . 0.0 108.646 177.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.74 -44.08 98.37 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 177.29 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -62.79 -43.91 97.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.637 177.216 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.8 mt -58.42 -45.64 88.03 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.648 1.567 . . . . 0.0 109.388 177.053 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.34 -38.24 86.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.587 0.755 . . . . 0.0 110.879 176.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -68.55 -44.44 74.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.088 0.955 . . . . 0.0 109.894 177.581 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -40.2 95.23 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.504 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.59 -43.65 98.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.932 1.293 . . . . 0.0 109.02 177.204 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -58.54 -43.12 89.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.855 1.262 . . . . 0.0 109.135 177.295 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.63 -53.12 56.49 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.308 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.21 -48.84 67.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.38 1.472 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -56.96 -46.17 82.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.272 1.396 . . . . 0.0 111.248 177.288 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -65.33 -48.78 71.85 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.538 0.735 . . . . 0.0 111.227 178.588 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -58.14 -43.14 87.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.926 0.89 . . . . 0.0 109.863 177.598 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.16 -36.86 85.02 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 117.619 -1.181 . . . . 0.0 109.486 179.02 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.73 86.51 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.473 1.033 . . . . 0.0 109.898 176.316 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -61.76 -47.87 83.22 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.617 0.767 . . . . 0.0 110.078 177.183 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -56.31 -54.79 41.3 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.684 1.994 . . . . 0.0 112.338 177.499 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -76.12 -32.16 59.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.334 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.45 -22.45 29.16 Favored Glycine 0 CA--C 1.551 2.344 0 CA-C-O 116.849 -2.084 . . . . 0.0 117.166 -179.75 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -137.54 -29.46 0.87 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 179.933 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.216 0 O-C-N 121.312 -0.868 . . . . 0.0 113.991 -177.493 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.0 mt . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -61.13 -48.99 79.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.537 0.735 . . . . 0.0 111.712 177.754 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -63.16 -32.08 73.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.149 0.431 . . . . 0.0 110.611 177.114 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -44.15 70.34 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.174 -178.673 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.83 -53.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.038 1.335 . . . . 0.0 110.53 176.871 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.18 -43.54 92.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.125 0.97 . . . . 0.0 111.744 177.449 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.41 -46.33 94.08 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.99 1.281 . . . . 0.0 110.251 178.397 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.42 -42.51 98.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.92 177.518 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.27 -51.05 70.93 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.426 1.466 . . . . 0.0 108.843 176.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.3 -37.2 79.8 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.81 0.814 . . . . 0.0 109.178 -179.251 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.12 -42.25 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.051 -2.281 . . . . 0.0 110.423 179.58 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.09 -39.93 93.89 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.8 1.182 . . . . 0.0 108.237 177.577 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.38 -40.88 98.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.494 0.718 . . . . 0.0 110.205 176.395 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.77 -42.08 98.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.484 1.114 . . . . 0.0 108.682 176.604 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -63.46 -44.43 94.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.838 0.745 . . . . 0.0 109.114 177.253 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.57 -45.7 88.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 117.525 -1.226 . . . . 0.0 109.923 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -57.01 -52.33 65.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.845 1.202 . . . . 0.0 109.944 177.43 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -60.05 -46.89 88.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.287 1.035 . . . . 0.0 112.965 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.43 -42.99 98.69 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.885 -1.135 . . . . 0.0 110.928 177.391 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -63.74 -38.84 92.62 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.2 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.96 95.42 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.48 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 m -61.24 -45.98 92.3 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 0.0 110.264 176.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.72 -51.32 60.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.776 0.83 . . . . 0.0 112.953 178.406 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -69.04 -25.34 64.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.979 1.312 . . . . 0.0 113.912 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.56 -34.33 5.83 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.451 1.501 . . . . 0.0 115.457 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -123.83 2.52 8.79 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -178.422 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 C-N-CA 124.909 1.243 . . . . 0.0 114.898 -178.546 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 118.638 -0.696 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -60.62 -48.69 80.66 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.223 0.92 . . . . 0.0 110.549 177.063 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.4 p -65.66 -27.64 68.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.854 0.752 . . . . 0.0 111.612 177.208 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -42.86 70.25 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 121.302 -0.873 . . . . 0.0 108.844 177.004 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.48 -42.87 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.648 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -59.23 -46.35 88.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.855 1.262 . . . . 0.0 108.642 177.181 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.56 -42.16 95.9 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.971 1.272 . . . . 0.0 111.097 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.03 -40.43 97.7 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.656 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.83 -41.18 95.95 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.524 1.056 . . . . 0.0 109.461 176.791 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.8 -39.94 95.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.518 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -62.59 -47.62 83.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.801 1.641 . . . . 0.0 109.647 177.194 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.99 -48.68 80.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.503 1.047 . . . . 0.0 109.134 177.078 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.11 -43.78 82.64 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.604 1.093 . . . . 0.0 111.439 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.39 -43.69 92.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.616 1.166 . . . . 0.0 110.192 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -64.0 -52.94 57.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.99 0.916 . . . . 0.0 109.282 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.91 -48.2 80.58 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -176.613 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -55.98 -45.05 79.09 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 120.044 1.293 . . . . 0.0 111.159 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.5 m -67.5 -44.64 77.97 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.004 -1.06 . . . . 0.0 111.223 178.373 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.0 -43.05 91.44 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 120.135 1.334 . . . . 0.0 110.593 177.418 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -61.69 -40.56 95.42 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.402 1.481 . . . . 0.0 110.015 177.41 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.9 -45.55 85.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.369 0.668 . . . . 0.0 110.686 176.691 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -60.64 -46.27 90.93 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.21 1.004 . . . . 0.0 109.06 179.232 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.76 -52.19 65.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.376 1.47 . . . . 0.0 112.519 179.058 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.2 p -71.38 -34.51 70.49 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -179.811 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.26 -30.85 11.49 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.757 1.17 . . . . 0.0 115.326 -177.479 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -136.31 -6.48 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -175.43 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 CA-C-N 120.304 1.411 . . . . 0.0 115.541 -178.36 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -62.24 -46.7 87.68 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.76 0.709 . . . . 0.0 110.821 177.228 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.1 p -68.63 -20.31 64.47 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.905 0.775 . . . . 0.0 110.275 177.143 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -42.33 60.71 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.798 -1.189 . . . . 0.0 107.843 177.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -61.69 -44.56 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 177.349 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.26 -46.68 89.35 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.263 1.425 . . . . 0.0 110.269 177.296 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -44.41 97.96 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 124.87 1.224 . . . . 0.0 111.87 177.377 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.99 -38.58 82.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.264 1.032 . . . . 0.0 110.569 176.843 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.33 -43.34 94.93 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.152 176.659 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -64.33 -36.65 84.83 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 118.871 0.759 . . . . 0.0 111.39 177.224 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -63.11 -52.69 61.61 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.823 1.249 . . . . 0.0 109.242 177.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -64.09 -34.32 77.78 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.208 -0.933 . . . . 0.0 110.925 177.345 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.8 -39.48 93.67 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.842 1.201 . . . . 0.0 109.32 177.805 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -63.97 -42.45 97.26 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.473 0.579 . . . . 0.0 109.939 176.871 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.02 -48.64 80.83 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 123.59 0.756 . . . . 0.0 109.704 176.606 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.25 -48.81 70.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.605 1.562 . . . . 0.0 111.038 177.761 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.39 -43.95 97.98 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.252 0.933 . . . . 0.0 111.401 177.902 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.5 m -62.61 -45.84 91.05 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.507 -1.371 . . . . 0.0 110.677 176.577 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -66.31 -31.9 72.97 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.803 -1.185 . . . . 0.0 111.739 177.265 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.48 -42.14 96.06 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.98 1.264 . . . . 0.0 108.684 176.902 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.06 89.62 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.179 0.592 . . . . 0.0 109.549 177.146 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -64.46 -41.4 96.54 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.1 0.96 . . . . 0.0 110.614 176.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.02 -49.43 67.74 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.982 1.713 . . . . 0.0 111.717 177.376 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -72.73 -32.67 65.87 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.755 0.822 . . . . 0.0 113.138 -179.763 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.41 -13.74 56.71 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.012 1.291 . . . . 0.0 114.493 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.9 m -146.99 -51.09 0.2 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.398 1.599 . . . . 0.0 113.536 177.73 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.262 0 N-CA-C 116.372 1.309 . . . . 0.0 116.372 -177.563 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -63.09 -44.16 96.49 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.88 176.874 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -66.94 -28.57 68.4 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.146 1.339 . . . . 0.0 110.947 176.903 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -42.8 82.94 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 177.621 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.07 -43.13 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.34 -41.67 80.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.457 1.503 . . . . 0.0 108.116 177.188 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.27 96.42 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 108.052 -2.019 . . . . 0.0 108.052 178.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.25 -37.91 87.27 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.585 1.192 . . . . 0.0 109.699 177.43 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.84 -46.86 87.65 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.164 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m -60.09 -35.79 75.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.005 0.522 . . . . 0.0 110.498 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -69.75 -44.17 70.75 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.407 1.083 . . . . 0.0 111.333 177.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.05 -38.9 92.74 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.025 1.284 . . . . 0.0 109.646 175.518 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -43.1 95.59 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 176.936 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -63.15 -36.55 83.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.873 0.869 . . . . 0.0 110.702 177.16 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.89 -47.41 85.89 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.568 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.76 -45.5 94.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.707 177.034 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -58.35 -46.65 85.85 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.369 0.986 . . . . 0.0 111.808 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.7 m -58.05 -56.0 27.66 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.453 1.101 . . . . 0.0 109.893 178.34 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -66.68 -28.39 68.41 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.222 0.919 . . . . 0.0 112.701 179.55 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 tp -69.36 -34.82 75.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.928 1.24 . . . . 0.0 108.049 176.687 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.69 78.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.638 1.175 . . . . 0.0 108.09 176.579 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.2 m -62.01 -41.41 98.04 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.366 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.25 -55.42 21.62 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.721 1.608 . . . . 0.0 111.597 177.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -69.9 -28.4 65.59 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.58 1.152 . . . . 0.0 113.811 -178.103 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -27.01 13.79 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-N 119.202 0.91 . . . . 0.0 115.075 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -137.05 -47.44 0.59 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.901 1.35 . . . . 0.0 113.477 -177.85 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.278 0 C-N-CA 125.69 1.614 . . . . 0.0 117.021 -177.941 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -60.63 -43.81 97.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 117.638 -1.173 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 p -67.39 -29.29 68.76 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.897 1.68 . . . . 0.0 110.49 177.679 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -40.9 80.44 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 119.847 1.203 . . . . 0.0 108.336 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.65 -42.36 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 O-C-N 120.418 -1.426 . . . . 0.0 108.003 177.26 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -61.68 -36.97 82.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.077 1.351 . . . . 0.0 107.925 177.854 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -43.31 86.8 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 127.113 2.292 . . . . 0.0 109.528 178.185 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.31 -52.38 65.9 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.214 1.507 . . . . 0.0 108.342 177.368 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.74 -41.54 91.17 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.228 0.467 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.1 m -60.73 -42.61 97.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.457 0.703 . . . . 0.0 110.861 177.198 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 117.98 -1.009 . . . . 0.0 111.504 177.297 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.47 -39.95 92.58 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.237 1.381 . . . . 0.0 107.725 176.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.616 -1.302 . . . . 0.0 107.898 176.069 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.37 -38.39 89.38 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.151 0.98 . . . . 0.0 109.965 178.098 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.51 -46.72 87.16 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 176.577 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.06 -39.01 88.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.799 -1.096 . . . . 0.0 110.901 176.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -60.74 -47.77 84.8 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.247 1.385 . . . . 0.0 109.418 176.604 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 m -61.93 -55.06 33.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 177.222 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -59.72 -36.21 76.11 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.851 0.86 . . . . 0.0 112.829 179.11 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.35 -33.98 72.1 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.505 1.048 . . . . 0.0 108.671 177.532 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.19 -42.09 89.33 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 176.722 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -63.08 -43.12 99.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.283 1.033 . . . . 0.0 109.651 177.705 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.27 -53.7 53.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.33 1.452 . . . . 0.0 112.397 176.167 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -69.96 -36.15 75.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.647 1.179 . . . . 0.0 113.656 -177.974 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.53 -4.18 58.26 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.788 1.475 . . . . 0.0 116.788 -178.045 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.6 m -152.67 -42.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.75 1.775 . . . . 0.0 114.791 177.063 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.11 0 C-N-CA 125.004 1.288 . . . . 0.0 115.66 -177.217 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.477 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -62.71 -47.27 84.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.835 1.198 . . . . 0.0 111.314 177.229 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p -65.76 -30.39 71.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.303 -0.873 . . . . 0.0 110.771 177.184 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -46.89 73.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.532 0.733 . . . . 0.0 109.831 177.157 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.11 -48.52 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 118.301 -0.857 . . . . 0.0 108.908 177.234 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.7 tp -55.55 -41.61 73.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.84 0.746 . . . . 0.0 110.691 177.69 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.82 93.18 Favored Glycine 0 N--CA 1.477 1.374 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 177.043 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.17 -41.37 97.17 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.465 178.341 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.01 -43.93 98.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.541 1.064 . . . . 0.0 109.282 177.033 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.6 m -62.72 -34.06 76.39 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.381 0.672 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -70.98 -40.57 71.84 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.106 0.962 . . . . 0.0 110.615 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 73.0 mm-40 -64.96 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 120.62 1.555 . . . . 0.0 108.279 175.886 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.99 -42.6 97.16 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.375 1.07 . . . . 0.0 108.897 176.499 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -61.56 -42.53 98.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.831 1.252 . . . . 0.0 109.677 176.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 85.6 mttt -60.17 -50.95 71.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.357 1.063 . . . . 0.0 108.582 176.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.21 -47.53 78.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.467 1.107 . . . . 0.0 110.785 177.418 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -58.24 -50.14 74.62 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 111.503 177.4 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -61.28 -54.01 49.5 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.701 0.801 . . . . 0.0 111.033 177.242 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -63.87 -28.7 70.02 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.144 -0.931 . . . . 0.0 112.578 -178.44 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 tp -68.04 -38.44 82.51 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.62 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.02 89.84 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.688 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.6 m -61.84 -45.52 93.45 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.565 -0.709 . . . . 0.0 109.337 177.264 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.71 -51.01 71.19 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.314 -1.491 . . . . 0.0 112.364 177.452 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 p -72.28 -29.02 63.48 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -177.911 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.57 -19.89 8.06 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -178.097 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -129.52 -34.66 1.78 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -178.937 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.995 0 C-N-CA 125.346 1.451 . . . . 0.0 113.773 -179.338 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -60.16 -45.97 91.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.367 0.985 . . . . 0.0 111.257 -179.369 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -64.84 -30.34 71.34 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.664 -1.272 . . . . 0.0 110.569 176.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -38.76 73.68 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.448 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.56 -49.7 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.521 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.33 -28.67 70.16 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.605 -0.684 . . . . 0.0 109.985 179.204 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.83 -44.97 60.13 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 126.984 2.231 . . . . 0.0 108.543 176.774 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.43 -45.61 83.17 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.01 -44.61 91.73 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.016 177.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -60.7 -38.74 86.04 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.126 0.97 . . . . 0.0 111.047 175.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -67.3 -41.95 84.53 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.854 1.262 . . . . 0.0 109.306 178.013 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.32 -42.03 99.04 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.253 1.388 . . . . 0.0 108.493 176.743 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.1 -44.13 97.83 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.825 -1.172 . . . . 0.0 109.499 176.625 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.47 -37.43 85.92 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 179.016 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.01 -50.31 71.24 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.149 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.84 -47.69 79.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.118 0.967 . . . . 0.0 110.792 178.053 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.35 -38.36 74.03 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 111.439 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -54.2 17.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.704 0.801 . . . . 0.0 109.984 176.859 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -57.73 -28.85 64.25 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.911 1.684 . . . . 0.0 113.222 179.088 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.25 -44.9 93.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.7 1.2 . . . . 0.0 109.091 176.583 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.57 -43.55 69.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.625 1.17 . . . . 0.0 108.972 177.532 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -58.75 -43.12 90.18 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.404 -0.81 . . . . 0.0 110.021 177.729 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.4 -53.56 54.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.793 1.637 . . . . 0.0 111.168 177.803 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -72.13 -23.5 61.32 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -177.326 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.97 -25.17 6.26 Favored Glycine 0 N--CA 1.474 1.172 0 N-CA-C 117.617 1.807 . . . . 0.0 117.617 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 m -137.77 -23.5 1.06 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.412 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 CA-C-N 120.234 1.379 . . . . 0.0 114.09 -178.709 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -54.0 -53.44 52.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.59 1.156 . . . . 0.0 112.375 -178.338 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.7 p -65.36 -29.71 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 119.179 -0.439 . . . . 0.0 111.757 176.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.68 -39.84 95.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.866 0.757 . . . . 0.0 111.186 177.228 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.48 -45.84 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.591 1.087 . . . . 0.0 109.439 177.391 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.43 -41.08 88.75 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.443 1.097 . . . . 0.0 111.12 176.751 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.8 89.04 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.171 1.367 . . . . 0.0 110.393 178.339 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -59.86 -49.45 77.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.787 177.178 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.38 -43.58 75.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.507 0.723 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -62.52 -41.18 98.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.624 0.77 . . . . 0.0 111.641 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -67.9 -42.69 80.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.555 1.142 . . . . 0.0 110.676 177.794 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.3 -36.92 85.68 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.007 -1.058 . . . . 0.0 109.079 176.939 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.46 -41.55 93.26 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.562 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -62.89 -34.6 77.74 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.888 -1.757 . . . . 0.0 109.895 177.093 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.78 -45.64 81.7 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 119.491 -2.006 . . . . 0.0 106.967 176.883 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.56 -41.12 89.43 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.244 1.384 . . . . 0.0 109.865 177.077 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.2 -37.87 88.93 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.457 1.026 . . . . 0.0 110.606 176.294 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -65.51 -49.89 67.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.237 -1.539 . . . . 0.0 109.658 176.118 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -56.54 -42.34 78.31 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.19 0.996 . . . . 0.0 109.582 178.001 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.4 -39.64 92.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.244 1.418 . . . . 0.0 107.365 -178.025 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -47.66 75.88 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 119.384 0.993 . . . . 0.0 109.464 177.377 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -59.31 -45.95 89.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.78 0.832 . . . . 0.0 109.493 178.135 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.26 -57.15 14.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.741 1.616 . . . . 0.0 112.095 177.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -69.08 -25.9 64.67 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -177.872 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.33 7.5 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 115.866 1.106 . . . . 0.0 115.866 -177.435 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -134.18 -40.51 0.83 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -176.944 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 CA-C-O 118.907 -0.941 . . . . 0.0 115.426 -177.787 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -60.56 -45.39 94.09 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.809 1.244 . . . . 0.0 111.336 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -66.15 -31.17 71.86 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.166 0.893 . . . . 0.0 111.257 177.011 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -46.61 68.61 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.537 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.61 -52.14 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 117.889 -1.053 . . . . 0.0 109.888 178.393 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.93 -40.46 76.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 120.004 1.275 . . . . 0.0 110.784 177.986 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -50.08 62.99 Favored Glycine 0 CA--C 1.554 2.484 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.18 -51.51 69.27 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.03 177.495 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -52.62 -46.0 66.84 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.431 1.469 . . . . 0.0 111.152 178.565 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -63.13 -41.12 99.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.887 . . . . 0.0 111.134 177.308 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.98 -40.67 91.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.217 1.007 . . . . 0.0 110.721 177.224 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 9.3 mm-40 -65.03 -43.64 91.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.328 1.051 . . . . 0.0 108.909 177.389 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.99 -42.73 94.86 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.33 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.42 -40.04 92.96 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 124.299 1.039 . . . . 0.0 109.741 177.314 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 88.6 mttt -61.59 -42.66 99.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 117.817 -1.087 . . . . 0.0 108.608 177.527 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.29 -43.03 92.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.966 0.803 . . . . 0.0 109.823 177.904 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -55.39 -51.05 68.09 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -64.74 -47.19 79.13 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.153 0.981 . . . . 0.0 109.354 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -54.4 -44.08 72.03 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.348 1.059 . . . . 0.0 111.83 177.719 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.05 -50.21 74.94 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.154 0.982 . . . . 0.0 109.386 178.32 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.79 98.24 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.877 0.471 . . . . 0.0 112.057 177.969 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -62.57 -37.93 88.11 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.289 -0.882 . . . . 0.0 110.354 177.078 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -64.39 -48.4 75.57 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.952 -1.717 . . . . 0.0 112.445 178.0 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -76.42 -31.81 58.13 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.34 1.427 . . . . 0.0 113.826 177.992 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -7.97 54.69 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 118.051 1.98 . . . . 0.0 118.051 -176.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -146.4 -36.74 0.25 Allowed 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 178.381 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.725 0 CA-C-N 119.281 0.946 . . . . 0.0 113.988 -178.705 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -61.22 -45.57 94.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.877 177.509 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -65.38 -28.59 69.37 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.91 1.686 . . . . 0.0 110.248 177.457 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -43.93 70.17 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.609 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.86 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 120.042 1.292 . . . . 0.0 108.085 177.535 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.8 -43.33 94.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.734 1.614 . . . . 0.0 108.203 178.05 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -44.92 92.39 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 178.308 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -58.35 -53.62 56.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.09 -1.433 . . . . 0.0 110.033 176.864 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -53.77 -46.7 71.05 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.211 1.368 . . . . 0.0 110.946 176.807 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.6 m -62.0 -36.79 82.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.404 178.163 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -75.76 -29.27 58.77 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -69.55 -36.82 76.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 177.298 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.45 -39.68 85.36 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 176.484 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -66.02 -35.27 80.09 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.55 1.068 . . . . 0.0 108.823 176.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -65.04 -41.78 94.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 -179.189 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.92 -42.09 88.86 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 177.958 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -61.37 -47.92 83.63 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.586 -1.321 . . . . 0.0 108.645 -179.422 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.0 m -60.99 -48.83 79.99 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 124.85 1.26 . . . . 0.0 110.759 176.233 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -61.22 -42.95 99.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.565 1.546 . . . . 0.0 110.894 178.168 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.6 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.294 1.406 . . . . 0.0 109.024 177.416 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.1 87.64 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.051 0.841 . . . . 0.0 109.909 177.649 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.1 m -66.94 -47.05 72.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.195 0.998 . . . . 0.0 110.149 177.506 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.05 -55.41 35.44 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.718 2.807 . . . . 0.0 111.972 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -70.77 -36.66 73.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.8 -40.77 8.59 Favored Glycine 0 CA--C 1.554 2.473 0 N-CA-C 120.043 2.777 . . . . 0.0 120.043 179.243 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.2 m -125.38 -22.81 4.25 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -177.181 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.325 0 N-CA-C 119.159 2.424 . . . . 0.0 119.159 -177.583 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -56.55 -47.69 78.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.88 1.272 . . . . 0.0 111.736 178.328 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.8 p -65.15 -32.65 74.45 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.056 178.366 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -40.91 85.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.801 0.84 . . . . 0.0 109.915 177.193 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.71 -50.67 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.2 1.4 . . . . 0.0 108.159 177.71 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.86 -51.38 63.81 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.627 1.571 . . . . 0.0 110.803 177.268 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.96 98.69 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 117.944 -1.476 . . . . 0.0 112.682 178.216 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.29 -43.6 97.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 116.46 -1.733 . . . . 0.0 110.987 177.039 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.92 -39.57 81.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 117.236 -1.364 . . . . 0.0 107.892 178.355 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.9 m -66.79 -35.91 81.17 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 116.053 -1.927 . . . . 0.0 107.534 -177.664 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -71.97 -33.11 67.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.475 1.489 . . . . 0.0 110.405 177.575 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -68.91 -38.58 79.68 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.051 1.751 . . . . 0.0 106.616 177.697 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.7 mt -66.9 -36.35 82.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.192 1.397 . . . . 0.0 108.014 177.642 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -65.52 -40.24 92.72 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.124 -1.61 . . . . 0.0 108.048 179.066 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.91 -45.25 94.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.227 177.188 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.29 -40.39 81.81 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.239 1.016 . . . . 0.0 109.753 176.856 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -65.2 -40.27 93.96 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.601 1.091 . . . . 0.0 108.21 178.07 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -64.12 -46.21 85.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.06 -1.025 . . . . 0.0 108.804 178.103 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -57.9 -43.84 86.4 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.577 1.08 . . . . 0.0 110.87 177.658 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.82 -39.43 94.27 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.3 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.49 83.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.644 1.111 . . . . 0.0 109.599 177.066 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.3 m -66.54 -41.59 88.49 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.679 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.51 -52.86 61.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.389 1.076 . . . . 0.0 113.092 178.003 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.3 p -65.54 -43.66 89.23 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -179.34 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.55 -24.47 12.21 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.992 1.957 . . . . 0.0 117.992 -177.578 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -123.67 -14.67 7.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 118.188 2.662 . . . . 0.0 118.188 -178.971 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 120.009 2.763 . . . . 0.0 120.009 177.693 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -56.98 -49.53 75.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.666 1.187 . . . . 0.0 112.196 177.795 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -67.34 -31.26 71.41 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.744 0.702 . . . . 0.0 110.561 177.449 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -38.23 86.7 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.981 0.81 . . . . 0.0 110.136 176.632 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.11 -44.99 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.904 1.229 . . . . 0.0 109.25 176.552 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.62 -44.75 93.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.347 0.659 . . . . 0.0 110.776 177.508 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -50.41 66.4 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.726 1.155 . . . . 0.0 111.248 176.311 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.69 -47.42 84.58 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.727 1.211 . . . . 0.0 110.516 176.816 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.6 -50.97 64.5 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.883 1.22 . . . . 0.0 109.455 177.618 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.6 m -64.96 -34.33 78.16 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.717 178.619 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -71.7 -35.01 70.11 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.163 1.347 . . . . 0.0 110.36 176.906 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 62.3 mm-40 -68.94 -39.29 79.65 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.234 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.58 -34.7 78.86 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.719 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -62.77 -46.22 89.02 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.494 -1.379 . . . . 0.0 108.393 175.847 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 94.0 mttt -59.03 -47.72 84.2 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.807 0.843 . . . . 0.0 109.127 176.803 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.61 -46.74 77.29 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 117.538 -1.22 . . . . 0.0 109.997 177.369 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.43 -38.01 88.08 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.211 0.914 . . . . 0.0 110.213 177.206 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -62.92 -47.38 83.5 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.895 1.225 . . . . 0.0 109.71 178.067 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -60.95 -52.23 65.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.02 0.928 . . . . 0.0 111.219 177.444 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -60.48 -43.03 97.38 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.857 1.263 . . . . 0.0 112.502 179.348 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.66 99.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.802 0.841 . . . . 0.0 110.402 177.429 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -65.47 -45.0 85.42 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.847 0.459 . . . . 0.0 110.651 177.115 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.0 -49.51 75.76 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 112.833 178.272 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.6 p -72.35 -45.55 59.4 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.338 1.055 . . . . 0.0 112.873 179.098 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.5 -16.55 80.19 Favored Glycine 0 CA--C 1.544 1.854 0 N-CA-C 116.31 1.284 . . . . 0.0 116.31 -177.548 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 m -153.69 -37.71 0.1 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 178.199 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.819 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 -177.507 . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -58.06 -47.91 81.73 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.618 -0.706 . . . . 0.0 111.686 177.265 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -66.04 -28.1 68.6 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.695 1.134 . . . . 0.0 110.754 177.026 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -41.99 79.12 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.168 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.94 -41.59 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 177.272 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.07 -41.01 97.71 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.469 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.0 -47.02 92.21 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 107.611 -2.196 . . . . 0.0 107.611 178.618 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.41 -42.96 99.57 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 116.68 -1.628 . . . . 0.0 108.581 178.965 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.48 -44.78 95.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.859 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.42 -36.19 81.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.916 -0.564 . . . . 0.0 110.857 176.873 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.1 -39.62 78.87 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.797 1.239 . . . . 0.0 109.353 176.734 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.48 -39.4 85.23 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 179.352 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.26 -43.93 95.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.375 1.07 . . . . 0.0 109.418 175.48 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.49 -39.59 93.95 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.474 1.109 . . . . 0.0 110.664 177.138 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -61.72 -43.7 98.34 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.954 -1.091 . . . . 0.0 109.126 176.821 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.11 -47.86 81.95 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.783 0.72 . . . . 0.0 109.73 177.379 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.52 -40.47 87.24 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.583 0.629 . . . . 0.0 111.331 177.227 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -64.58 -48.16 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.037 1.335 . . . . 0.0 111.123 178.093 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -59.13 -52.07 67.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.514 1.126 . . . . 0.0 109.785 177.276 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.65 -54.41 41.99 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.948 1.299 . . . . 0.0 112.277 178.815 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.47 70.49 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 178.04 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.6 m -70.42 -39.82 74.18 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.552 -0.717 . . . . 0.0 110.438 177.394 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.79 -45.57 74.41 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.07 1.348 . . . . 0.0 112.905 179.819 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.9 p -71.8 -20.54 61.84 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.359 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.82 -72.7 1.19 Allowed Glycine 0 CA--C 1.551 2.305 0 C-N-CA 124.324 0.964 . . . . 0.0 113.11 178.615 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -97.64 -19.72 18.1 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.4 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 117.811 1.884 . . . . 0.0 117.811 -177.183 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.7 mt . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -55.15 -49.93 70.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 112.028 -179.224 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -64.53 -31.17 72.27 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.874 0.761 . . . . 0.0 110.635 178.683 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -39.0 84.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.278 -0.889 . . . . 0.0 109.783 176.88 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 t -64.3 -47.16 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 119.622 1.101 . . . . 0.0 108.662 177.37 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.43 -41.6 76.68 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.521 1.128 . . . . 0.0 112.31 177.023 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.75 48.22 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.09 0.852 . . . . 0.0 111.502 176.519 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.93 -44.62 87.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.498 1.119 . . . . 0.0 111.142 177.842 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.38 -46.24 91.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.541 0.737 . . . . 0.0 109.487 177.374 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 m -58.27 -38.07 76.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.762 0.825 . . . . 0.0 110.906 177.379 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -66.98 -42.51 84.96 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.498 0.719 . . . . 0.0 109.734 177.87 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.22 -39.66 94.44 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.772 -1.205 . . . . 0.0 109.577 177.497 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.05 -43.99 94.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.082 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.74 -41.3 99.12 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.972 178.994 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.55 -46.69 88.17 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.748 1.158 . . . . 0.0 110.294 177.132 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.98 -43.33 86.45 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 110.94 176.288 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.18 -41.21 99.17 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.404 0.682 . . . . 0.0 110.969 177.354 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -64.13 -45.15 89.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.936 0.789 . . . . 0.0 110.736 176.752 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -60.32 -51.42 69.59 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 123.18 0.592 . . . . 0.0 110.382 177.26 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.9 mt -59.13 -44.63 92.04 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.017 1.327 . . . . 0.0 112.84 178.656 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.99 87.72 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 118.858 0.754 . . . . 0.0 110.92 176.758 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 m -72.67 -33.13 66.34 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.095 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.47 -44.04 92.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.09 1.356 . . . . 0.0 111.621 176.915 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -76.61 -34.79 58.35 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.715 0.688 . . . . 0.0 111.582 177.727 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.58 -25.21 59.13 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 115.455 0.942 . . . . 0.0 115.455 -179.174 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -152.11 -37.73 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.92 1.86 . . . . 0.0 114.379 -178.726 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.448 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 -176.865 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -57.64 -48.21 80.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.661 0.784 . . . . 0.0 110.974 178.505 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -65.1 -29.54 70.41 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.723 177.72 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.64 78.59 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 119.992 1.269 . . . . 0.0 109.106 177.339 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.6 -42.11 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.747 -1.221 . . . . 0.0 108.479 176.781 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.24 -40.64 94.77 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.985 -1.072 . . . . 0.0 109.268 176.81 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.33 98.15 Favored Glycine 0 CA--C 1.541 1.658 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 177.115 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -47.42 84.79 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.951 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.8 -44.5 90.8 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.226 1.01 . . . . 0.0 110.559 176.939 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -56.9 -44.85 82.78 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.145 0.978 . . . . 0.0 111.723 175.515 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.05 -49.46 74.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.291 1.436 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 55.7 mm-40 -61.47 -42.41 98.74 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.227 0.921 . . . . 0.0 110.553 177.062 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.61 -38.55 88.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -65.71 -41.48 92.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -178.561 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 93.2 mttt -59.65 -51.85 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 119.127 0.876 . . . . 0.0 109.009 176.377 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.74 -47.6 79.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.739 0.816 . . . . 0.0 110.677 177.209 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -60.72 -37.41 81.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.315 1.046 . . . . 0.0 110.944 177.345 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -67.16 -47.73 70.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.487 1.515 . . . . 0.0 109.343 177.284 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -60.47 -44.9 95.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.413 -0.804 . . . . 0.0 109.822 177.436 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -58.92 -52.67 64.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.966 1.306 . . . . 0.0 110.472 177.161 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.36 78.44 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.98 0.895 . . . . 0.0 112.68 177.434 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -67.92 -38.65 83.16 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 176.672 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.18 -42.0 80.62 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.283 -1.511 . . . . 0.0 111.501 178.056 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -72.16 -36.13 69.21 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.958 1.254 . . . . 0.0 113.319 178.057 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.81 -16.45 51.63 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.199 1.64 . . . . 0.0 117.199 -179.134 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -139.48 -48.87 0.48 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.079 1.352 . . . . 0.0 114.644 178.525 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 N-CA-C 117.774 1.87 . . . . 0.0 117.774 -177.987 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 118.742 -0.647 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -62.08 -45.52 93.16 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.167 0.894 . . . . 0.0 111.213 177.431 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.5 p -63.61 -28.91 70.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.678 1.581 . . . . 0.0 110.683 177.107 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.62 71.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.144 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.75 -45.15 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.627 1.171 . . . . 0.0 108.527 177.04 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -41.93 97.46 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.831 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.8 97.68 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 124.764 1.173 . . . . 0.0 110.421 178.308 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.16 -45.61 87.67 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 176.577 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.78 -38.95 79.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.709 176.851 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 m -60.17 -40.2 89.08 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 120.284 1.402 . . . . 0.0 110.149 176.934 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -69.32 -39.62 78.11 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.006 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.93 -37.93 86.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.584 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.73 -42.14 98.57 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 176.82 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -63.19 -38.66 92.04 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.79 -0.569 . . . . 0.0 109.712 177.092 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.86 -45.02 87.81 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.254 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.75 -45.3 86.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.316 1.446 . . . . 0.0 109.629 177.415 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.7 -35.69 80.53 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.028 0.831 . . . . 0.0 110.467 176.691 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -66.49 -46.31 76.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.745 1.218 . . . . 0.0 110.051 176.975 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -62.14 -44.19 97.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.867 0.867 . . . . 0.0 109.411 177.314 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.34 -48.39 81.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.488 1.515 . . . . 0.0 111.569 177.098 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.78 93.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.861 0.864 . . . . 0.0 111.117 176.867 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -60.01 -47.32 86.34 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.122 0.969 . . . . 0.0 110.297 177.289 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.34 -49.22 67.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.491 1.516 . . . . 0.0 113.218 -178.344 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.77 -34.86 76.28 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.933 1.293 . . . . 0.0 113.457 179.675 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.39 -21.03 28.09 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 179.294 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -146.31 -26.39 0.43 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -177.556 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.267 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -178.568 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 119.241 -0.409 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -57.87 -50.09 74.5 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.853 -178.413 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.4 p -63.12 -31.98 73.25 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 119.513 1.051 . . . . 0.0 110.994 178.265 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -38.87 74.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.048 -1.658 . . . . 0.0 110.292 178.076 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.17 -45.94 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 115.835 -2.031 . . . . 0.0 108.514 177.584 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.53 -32.14 73.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 126.571 2.42 . . . . 0.0 109.941 177.821 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.05 -44.61 76.86 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 178.772 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.85 -43.11 99.5 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.298 1.039 . . . . 0.0 109.105 177.744 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -44.98 89.12 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.96 -34.45 76.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.721 -0.612 . . . . 0.0 112.159 177.171 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.5 -49.45 71.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.611 1.164 . . . . 0.0 110.438 177.565 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -64.79 -40.37 95.12 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 117.597 -1.192 . . . . 0.0 109.514 177.844 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.06 -39.66 90.69 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.989 0.813 . . . . 0.0 110.901 177.251 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.88 -38.47 91.01 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.895 0.77 . . . . 0.0 109.804 178.882 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 118.254 -0.879 . . . . 0.0 108.781 176.949 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.61 -35.22 77.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 115.712 -2.089 . . . . 0.0 110.555 178.069 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -63.9 -43.85 94.75 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 119.584 1.083 . . . . 0.0 109.287 178.224 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.3 m -69.29 -40.76 77.52 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.127 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.5 -55.43 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.196 1.398 . . . . 0.0 110.112 177.127 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.71 -47.11 83.33 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.925 1.69 . . . . 0.0 112.596 177.659 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.96 89.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.593 0.757 . . . . 0.0 111.825 177.345 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 m -66.65 -47.51 72.3 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.544 0.688 . . . . 0.0 111.018 177.54 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.04 -53.54 57.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.968 1.707 . . . . 0.0 114.53 -179.477 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -65.92 -14.84 62.27 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -177.931 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.65 -65.33 0.45 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.944 0.783 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -87.71 -30.89 20.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 119.741 -2.035 . . . . 0.0 112.953 -177.47 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.559 0 N-CA-C 117.501 1.76 . . . . 0.0 117.501 -176.985 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 119.412 -0.328 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -60.6 -45.84 92.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.012 -178.888 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p -64.28 -30.78 71.82 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.315 1.416 . . . . 0.0 111.54 176.913 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -44.71 81.38 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.436 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.1 -44.45 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 -176.947 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.06 -42.95 95.61 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.866 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.45 85.71 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 118.307 -1.274 . . . . 0.0 111.48 177.67 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -67.7 -39.08 84.4 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.202 1.501 . . . . 0.0 109.355 177.313 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.32 -47.92 83.71 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.815 -1.179 . . . . 0.0 107.815 178.066 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.7 m -59.07 -40.53 85.49 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.226 1.01 . . . . 0.0 109.821 176.809 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.21 -47.26 83.27 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 125.605 1.562 . . . . 0.0 111.198 178.916 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.94 -36.33 84.03 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.064 0.847 . . . . 0.0 109.358 177.689 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.15 -32.69 74.29 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.882 -1.761 . . . . 0.0 110.292 175.799 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.7 -43.76 71.77 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 119.348 -2.095 . . . . 0.0 108.63 175.985 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -58.44 -47.75 82.98 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 105.677 -1.971 . . . . 0.0 105.677 179.025 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.08 -47.51 80.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.342 179.076 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -55.6 -44.13 76.71 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.991 0.814 . . . . 0.0 109.737 177.04 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -66.72 -39.5 88.02 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 119.928 1.24 . . . . 0.0 107.985 -177.311 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -64.6 -43.68 93.0 Favored 'General case' 0 CA--C 1.566 1.567 0 O-C-N 120.691 -1.256 . . . . 0.0 109.383 177.608 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.78 -38.42 90.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.689 1.196 . . . . 0.0 110.738 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.72 87.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.914 1.286 . . . . 0.0 111.677 177.275 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.875 -1.141 . . . . 0.0 109.885 177.11 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.94 -54.24 20.19 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.097 0.959 . . . . 0.0 112.469 177.207 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -71.14 -5.78 34.28 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.329 1.852 . . . . 0.0 114.299 -177.819 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.81 -41.98 0.89 Allowed Glycine 0 C--N 1.347 1.142 0 C-N-CA 124.247 0.927 . . . . 0.0 114.358 176.07 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 m -120.92 -44.66 2.41 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.871 -1.37 . . . . 0.0 113.738 -178.233 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.133 0 N-CA-C 119.842 2.697 . . . . 0.0 119.842 179.493 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -58.99 -48.17 82.54 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.406 1.083 . . . . 0.0 113.157 179.707 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.2 p -63.79 -34.97 79.09 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.814 1.188 . . . . 0.0 110.798 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -43.91 82.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.867 0.758 . . . . 0.0 109.939 177.077 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.92 -44.84 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.064 1.345 . . . . 0.0 108.868 177.587 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 mt -57.16 -43.54 82.64 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 0.0 108.873 177.697 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.95 95.12 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 177.262 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.5 -42.12 96.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.049 0.94 . . . . 0.0 110.379 177.732 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.473 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -59.17 -39.34 82.2 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.747 1.158 . . . . 0.0 109.915 176.493 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -66.04 -48.82 69.82 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.511 1.525 . . . . 0.0 108.806 179.894 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.53 -47.26 84.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.602 1.092 . . . . 0.0 108.712 177.84 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.85 -41.72 87.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.623 1.169 . . . . 0.0 108.556 177.581 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.41 -37.29 84.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.229 0.922 . . . . 0.0 109.532 -179.259 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.84 -46.0 92.3 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.936 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.36 -45.45 88.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.023 0.929 . . . . 0.0 109.493 176.621 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -56.02 -45.62 79.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.56 1.073 . . . . 0.0 109.365 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -65.55 -44.01 88.11 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -176.807 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.81 -47.92 82.94 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.785 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.49 -51.86 67.74 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.284 1.434 . . . . 0.0 110.634 177.1 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.82 79.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.858 1.263 . . . . 0.0 112.798 177.482 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.4 m -67.67 -40.09 84.49 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 177.486 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -68.93 -46.68 67.64 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.17 -0.956 . . . . 0.0 112.508 178.967 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 p -69.72 -40.15 76.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.077 0.853 . . . . 0.0 112.304 177.927 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.89 -33.66 23.55 Favored Glycine 0 N--CA 1.48 1.58 0 N-CA-C 118.013 1.965 . . . . 0.0 118.013 -179.157 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -129.39 -20.41 3.32 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -177.832 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.557 0 O-C-N 120.133 -1.604 . . . . 0.0 116.408 178.902 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 mt . . . . . 0 N--CA 1.468 0.467 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -57.66 -49.69 75.65 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.895 178.279 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p -63.79 -27.69 69.35 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.928 1.24 . . . . 0.0 111.161 177.182 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -42.11 80.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.977 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.32 -48.62 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.165 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.34 -44.2 75.71 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.606 0.763 . . . . 0.0 110.85 177.622 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.41 -45.76 92.6 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 123.919 0.771 . . . . 0.0 111.402 176.851 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -61.34 -45.63 93.6 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 123.479 0.712 . . . . 0.0 109.756 176.292 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.0 mt -56.68 -38.42 72.22 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.002 0.819 . . . . 0.0 109.683 178.753 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -65.62 -37.75 87.46 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.281 -0.887 . . . . 0.0 109.399 178.645 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.51 -44.83 77.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.999 -1.063 . . . . 0.0 110.424 176.244 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 25.1 mm-40 -60.07 -38.24 82.26 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.47 1.032 . . . . 0.0 110.341 176.371 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.4 -38.49 84.73 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.712 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.07 -38.68 91.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.084 0.856 . . . . 0.0 109.177 177.883 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 93.4 mttt -60.58 -42.83 97.48 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.846 -1.074 . . . . 0.0 108.104 176.563 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.62 -42.03 91.75 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 124.376 1.048 . . . . 0.0 109.21 177.366 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -62.21 -42.27 99.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.012 0.824 . . . . 0.0 109.38 178.428 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -66.09 -43.94 85.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.959 0.904 . . . . 0.0 110.267 177.595 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.7 -46.61 89.71 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.415 1.086 . . . . 0.0 109.824 177.395 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.54 -55.72 31.22 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.561 1.544 . . . . 0.0 110.323 177.841 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.01 73.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.221 1.009 . . . . 0.0 112.045 177.327 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 m -63.97 -46.43 84.65 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.53 -0.732 . . . . 0.0 109.997 177.456 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -62.85 -45.1 94.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.518 1.927 . . . . 0.0 113.814 -179.326 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 p -76.85 -34.66 57.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.861 1.265 . . . . 0.0 112.551 -178.568 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.32 -20.99 18.58 Favored Glycine 0 CA--C 1.547 2.063 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -176.011 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -136.38 -43.69 0.62 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -179.075 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.145 0 C-N-CA 125.104 1.335 . . . . 0.0 113.837 -177.235 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -60.99 -46.73 89.58 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 117.134 -1.412 . . . . 0.0 111.464 177.284 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.0 -22.53 66.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.011 1.278 . . . . 0.0 110.742 177.045 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -37.94 64.5 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.762 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.47 -48.34 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.205 -1.559 . . . . 0.0 107.087 177.105 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.14 -48.06 79.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.246 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.78 -42.1 96.3 Favored Glycine 0 C--O 1.214 -1.148 0 O-C-N 121.313 -0.867 . . . . 0.0 112.166 179.421 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -58.14 -52.12 66.87 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 119.49 1.645 . . . . 0.0 108.242 173.483 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.46 -39.18 79.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -178.698 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -63.65 -38.6 91.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 119.89 -1.756 . . . . 0.0 108.809 -179.628 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.36 -48.54 67.17 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.581 177.376 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.451 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 9.1 mm-40 -57.02 -40.34 76.48 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.299 0.954 . . . . 0.0 109.845 177.773 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.1 mt -67.5 -41.48 84.43 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -178.777 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -65.86 -35.77 81.58 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.953 1.251 . . . . 0.0 111.194 177.031 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 89.8 mttt -60.59 -49.66 76.65 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 176.834 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.24 -38.48 80.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.676 177.351 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.71 -35.18 80.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.15 1.341 . . . . 0.0 110.078 178.061 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -72.35 -39.17 68.3 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.131 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -66.41 -37.13 84.53 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.872 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.48 -37.77 88.69 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 116.609 -1.662 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.22 78.79 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.503 1.047 . . . . 0.0 110.179 176.988 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 m -69.3 -46.02 68.16 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 177.312 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.9 -43.98 97.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.249 2.22 . . . . 0.0 113.465 179.987 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.6 p -83.91 -42.41 16.36 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.5 -24.57 56.19 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.43 -175.888 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -129.68 -44.45 1.21 Allowed 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.66 1.73 . . . . 0.0 111.81 179.703 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.864 0 CA-C-N 118.839 0.745 . . . . 0.0 113.667 -177.7 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 tp . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -58.4 -48.04 81.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.943 0.897 . . . . 0.0 112.044 179.32 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.9 p -65.79 -31.34 72.26 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 119.099 0.863 . . . . 0.0 111.525 177.457 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -41.77 81.67 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.533 1.061 . . . . 0.0 109.112 176.735 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.6 -41.28 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.385 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.7 -37.62 79.36 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.252 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.27 -44.11 98.51 Favored Glycine 0 CA--C 1.541 1.689 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 177.819 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -60.73 -47.19 87.42 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.512 1.156 . . . . 0.0 109.483 176.696 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.95 -48.02 82.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 110.679 177.593 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -59.12 -40.57 85.82 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.665 0.786 . . . . 0.0 110.876 176.988 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.68 -49.17 76.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.18 1.392 . . . . 0.0 110.243 177.368 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.24 -42.95 96.36 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.007 1.276 . . . . 0.0 110.071 178.787 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.62 -45.23 91.27 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.068 0.547 . . . . 0.0 110.336 177.43 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -60.09 -42.06 93.82 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.379 1.472 . . . . 0.0 111.925 177.319 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -57.33 -44.84 84.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.197 0.999 . . . . 0.0 109.466 177.401 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.83 -38.5 85.68 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.928 176.645 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.92 -42.96 99.13 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.347 1.43 . . . . 0.0 111.151 177.315 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -61.09 -46.34 91.01 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.788 0.722 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.91 -42.45 97.4 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.627 -0.671 . . . . 0.0 111.716 177.208 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.32 -52.22 66.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.449 1.5 . . . . 0.0 111.693 177.582 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.79 67.09 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.181 0.9 . . . . 0.0 111.248 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 m -61.09 -49.7 76.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.019 0.928 . . . . 0.0 110.484 177.205 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -60.92 -47.8 84.75 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 113.272 -178.888 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.1 p -75.85 -38.78 57.64 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -177.49 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.26 -21.7 26.69 Favored Glycine 0 N--CA 1.473 1.102 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 -177.397 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -129.44 -42.63 1.31 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.708 1.254 . . . . 0.0 113.39 -178.075 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.681 0 N-CA-C 116.051 1.18 . . . . 0.0 116.051 -178.086 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 118.989 -0.529 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -61.27 -49.13 78.31 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.986 0.812 . . . . 0.0 110.53 179.774 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -65.32 -25.89 67.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.522 1.055 . . . . 0.0 111.513 177.573 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -40.24 66.43 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.087 0.858 . . . . 0.0 109.549 176.231 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.31 -43.69 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.74 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.7 mt -57.88 -42.83 85.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.452 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -44.13 94.94 Favored Glycine 0 CA--C 1.542 1.734 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 176.84 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -61.68 -48.89 78.77 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.285 1.042 . . . . 0.0 108.21 178.163 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -57.03 -49.01 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.223 1.009 . . . . 0.0 111.228 177.59 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -59.35 -42.99 92.84 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.381 176.921 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.92 -48.98 74.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.376 1.47 . . . . 0.0 110.848 178.44 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.23 -40.48 94.18 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.524 1.056 . . . . 0.0 109.958 178.498 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.75 -38.04 85.82 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.563 -0.711 . . . . 0.0 109.581 176.695 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.55 -41.11 96.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.712 0.805 . . . . 0.0 109.047 177.658 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.83 -45.1 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.562 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.91 -38.28 81.87 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.083 177.006 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.46 -40.59 97.52 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.112 1.324 . . . . 0.0 108.959 177.329 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -64.48 -47.33 79.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.41 0.684 . . . . 0.0 109.64 177.201 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.32 -44.89 92.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.646 0.778 . . . . 0.0 110.929 177.221 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.94 -42.76 99.91 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 125.231 1.412 . . . . 0.0 111.918 178.398 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.0 80.51 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.212 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.2 m -62.84 -40.49 97.59 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.783 0.833 . . . . 0.0 110.789 176.968 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -61.83 -55.06 33.84 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.714 1.606 . . . . 0.0 112.586 178.022 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.3 p -75.96 -27.38 57.5 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.732 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.16 -19.29 33.8 Favored Glycine 0 CA--C 1.54 1.601 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -178.895 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -143.65 -52.73 0.35 Allowed 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.639 1.22 . . . . 0.0 113.945 -176.478 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 C-N-CA 126.196 1.855 . . . . 0.0 117.015 -177.879 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.2 tp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -59.82 -41.88 92.25 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.823 0.849 . . . . 0.0 113.004 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 p -68.01 -29.39 68.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.514 1.506 . . . . 0.0 110.268 177.174 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -41.7 79.85 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.247 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.892 178.868 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.12 -37.83 78.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.329 0.651 . . . . 0.0 110.524 176.644 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.33 -49.94 69.57 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 175.884 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -59.13 -49.76 76.65 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.686 0.743 . . . . 0.0 109.676 177.094 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -54.27 -50.59 66.9 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.538 1.135 . . . . 0.0 111.854 178.621 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -60.41 -39.01 85.86 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.872 1.215 . . . . 0.0 112.295 176.815 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.2 -49.25 72.77 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 177.097 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.16 -37.93 89.24 Favored 'General case' 0 C--N 1.342 0.272 0 O-C-N 121.405 -0.81 . . . . 0.0 111.967 177.853 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.53 -42.5 99.56 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.409 -1.432 . . . . 0.0 108.9 176.957 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -61.43 -37.3 83.0 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 125.032 1.333 . . . . 0.0 110.832 176.385 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.5 -48.32 64.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.16 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.6 mt -56.15 -44.16 79.0 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.999 1.272 . . . . 0.0 110.7 176.948 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.22 -40.88 91.71 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.85 0.86 . . . . 0.0 110.853 177.051 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.0 m -66.09 -42.09 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.972 0.509 . . . . 0.0 110.286 176.951 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -62.35 -44.18 97.09 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.884 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.09 -34.91 78.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.558 1.143 . . . . 0.0 111.887 177.033 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.99 92.71 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.819 1.191 . . . . 0.0 108.892 177.682 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.8 m -65.69 -37.52 86.69 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.482 -1.386 . . . . 0.0 108.822 179.774 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -70.65 -51.17 29.66 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.833 1.253 . . . . 0.0 111.98 178.798 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.6 p -70.14 -30.63 67.84 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.018 1.327 . . . . 0.0 113.552 -178.552 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.45 -26.66 10.67 Favored Glycine 0 CA--C 1.545 1.951 0 C-N-CA 123.66 0.648 . . . . 0.0 114.622 -178.174 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -127.81 -52.69 1.34 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -178.222 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.212 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 179.415 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.8 tp . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -58.13 -46.51 85.48 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.477 1.111 . . . . 0.0 111.753 177.356 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.0 p -67.16 -29.62 69.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.265 0.939 . . . . 0.0 110.959 177.145 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -42.56 77.31 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 119.385 0.993 . . . . 0.0 108.903 177.509 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.62 -51.88 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.524 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -54.29 -45.08 72.43 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.47 1.108 . . . . 0.0 110.207 177.079 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.52 -45.92 93.87 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.611 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.13 -47.22 80.8 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.098 0.949 . . . . 0.0 109.482 177.289 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.6 mt -56.61 -50.58 71.59 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.498 1.119 . . . . 0.0 110.362 178.47 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -56.27 -38.91 71.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.735 1.152 . . . . 0.0 110.75 178.501 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -47.71 70.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.73 0.695 . . . . 0.0 111.224 177.388 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.26 -38.84 91.59 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 119.149 0.886 . . . . 0.0 110.645 178.089 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.99 -38.55 91.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.376 1.071 . . . . 0.0 108.799 177.312 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -65.02 -42.29 94.51 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.269 -0.894 . . . . 0.0 108.612 176.787 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.28 -43.91 92.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.787 1.176 . . . . 0.0 109.111 177.074 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.47 -38.61 87.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.545 0.738 . . . . 0.0 110.03 177.18 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.35 -42.91 98.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.964 1.256 . . . . 0.0 107.635 178.261 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.5 m -65.84 -40.1 91.45 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.668 1.187 . . . . 0.0 110.655 177.16 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -64.15 -43.66 94.51 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.205 -0.934 . . . . 0.0 109.468 177.762 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.66 -44.38 96.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.844 0.858 . . . . 0.0 109.636 177.126 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.84 83.07 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.052 0.842 . . . . 0.0 110.174 176.858 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 m -58.0 -39.29 77.9 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.682 1.593 . . . . 0.0 109.256 177.677 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.06 -51.89 58.9 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.469 -0.77 . . . . 0.0 109.846 179.12 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.8 p -62.58 -24.25 67.45 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 178.307 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -29.13 8.74 Favored Glycine 0 N--CA 1.482 1.759 0 N-CA-C 117.098 1.599 . . . . 0.0 117.098 178.263 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -139.46 -50.3 0.5 Allowed 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.354 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.36 0 N-CA-C 117.462 1.745 . . . . 0.0 117.462 -177.615 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -60.42 -45.95 91.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.245 1.018 . . . . 0.0 111.467 177.299 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -67.19 -29.39 69.06 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.39 0.996 . . . . 0.0 111.368 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -42.14 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.417 1.008 . . . . 0.0 108.716 175.586 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.16 -45.45 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.001 1.32 . . . . 0.0 108.489 178.273 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.84 -32.0 70.26 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.018 0.927 . . . . 0.0 110.189 177.289 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.02 -50.84 37.72 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.604 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.87 -48.38 75.66 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.166 0.986 . . . . 0.0 109.308 177.221 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.54 -48.31 82.14 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.925 1.29 . . . . 0.0 111.667 177.138 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -58.29 -37.5 75.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.574 0.749 . . . . 0.0 110.688 177.865 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -48.2 77.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.856 178.129 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.24 -44.04 97.45 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.683 0.674 . . . . 0.0 109.819 177.209 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.74 -36.81 82.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.592 1.157 . . . . 0.0 111.364 177.464 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.87 -49.91 64.16 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.409 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -54.75 -46.2 74.28 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.852 0.751 . . . . 0.0 109.434 177.55 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.44 -47.03 87.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.834 1.253 . . . . 0.0 110.859 177.836 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -60.58 -38.04 83.31 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.543 1.065 . . . . 0.0 111.154 176.749 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -66.19 -44.22 84.6 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.668 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.31 -43.5 96.3 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.372 -0.83 . . . . 0.0 109.642 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.74 -43.47 97.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.133 1.373 . . . . 0.0 110.967 178.358 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.94 83.97 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.617 0.767 . . . . 0.0 110.41 175.793 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.9 m -62.71 -39.55 94.37 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.435 0.694 . . . . 0.0 110.66 177.25 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.403 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 10.4 t-20 -69.21 -50.31 48.53 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.121 -1.612 . . . . 0.0 112.966 179.051 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -62.23 -18.23 60.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.569 1.147 . . . . 0.0 113.17 -178.349 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.43 -53.12 0.61 Allowed Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.812 1.196 . . . . 0.0 113.98 178.037 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 m -107.34 -32.24 7.85 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -176.934 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . . . . . . 0 C--N 1.346 1.085 0 CA-C-O 117.761 -1.577 . . . . 0.0 115.357 -176.567 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -60.74 -50.48 73.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.3 1.04 . . . . 0.0 111.21 179.097 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.0 p -64.38 -29.56 70.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.549 1.068 . . . . 0.0 112.085 177.306 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -46.09 68.19 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.675 1.125 . . . . 0.0 109.312 177.428 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.47 -49.51 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 O-C-N 121.245 -0.91 . . . . 0.0 109.832 177.59 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.14 -40.97 82.7 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.606 0.762 . . . . 0.0 110.469 176.91 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -43.32 95.33 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.691 1.138 . . . . 0.0 111.301 176.186 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -64.44 -51.31 63.74 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 176.989 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.43 -38.79 74.95 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.573 1.149 . . . . 0.0 112.479 179.407 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -63.16 -38.67 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.053 1.297 . . . . 0.0 108.513 177.755 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.58 -39.83 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.776 1.231 . . . . 0.0 109.437 176.895 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.35 -41.62 98.87 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.588 1.54 . . . . 0.0 108.787 177.133 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.73 -35.5 81.28 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.093 1.757 . . . . 0.0 108.907 177.344 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.16 -48.39 70.91 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 177.223 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.43 -45.27 80.84 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.944 1.298 . . . . 0.0 108.568 178.532 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.01 -45.04 96.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.129 0.972 . . . . 0.0 110.071 177.423 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -57.57 -43.77 84.78 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.718 1.145 . . . . 0.0 110.413 175.86 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -64.96 -44.24 90.06 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.101 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.98 93.75 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.567 1.076 . . . . 0.0 111.143 176.885 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.32 -46.38 90.08 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.16 0.984 . . . . 0.0 109.951 177.201 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.65 68.7 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.29 1.036 . . . . 0.0 110.909 178.346 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.8 m -62.3 -37.0 83.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.747 -0.595 . . . . 0.0 110.523 177.643 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -65.72 -51.29 60.49 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.073 -1.017 . . . . 0.0 111.93 177.828 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 p -61.83 -7.1 3.22 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.591 1.557 . . . . 0.0 115.024 178.188 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.92 -39.25 0.61 Allowed Glycine 0 CA--C 1.548 2.113 0 C-N-CA 124.894 1.235 . . . . 0.0 113.885 179.79 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -130.12 -11.81 4.16 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -177.33 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.38 0 CA-C-N 120.351 1.432 . . . . 0.0 114.289 -177.268 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -57.88 -52.98 63.23 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.353 1.461 . . . . 0.0 111.507 178.225 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -63.49 -27.57 69.37 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 121.183 -0.948 . . . . 0.0 111.219 178.584 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.68 73.82 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 119.003 0.82 . . . . 0.0 109.018 176.478 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.2 -51.15 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 119.777 1.172 . . . . 0.0 108.679 177.058 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.94 -39.07 77.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.44 0.696 . . . . 0.0 111.395 177.59 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.27 96.54 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.383 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.47 -44.7 90.22 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.05 177.379 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.96 -48.0 73.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.612 1.096 . . . . 0.0 109.956 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -59.68 -42.15 92.29 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.699 0.8 . . . . 0.0 110.085 179.132 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -69.27 -41.61 76.65 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.657 0.783 . . . . 0.0 111.552 179.234 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.75 -40.91 96.09 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.728 1.149 . . . . 0.0 108.29 176.603 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.29 -36.78 84.82 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 176.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.42 -43.48 94.22 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.297 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.3 -36.46 80.15 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.984 177.188 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -66.75 -37.0 83.75 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.036 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.25 -35.08 79.94 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.736 1.153 . . . . 0.0 109.194 176.965 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -66.71 -39.43 88.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.681 1.128 . . . . 0.0 109.577 175.639 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -68.36 -40.14 81.57 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 121.101 -0.999 . . . . 0.0 110.783 176.3 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.18 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.443 1.497 . . . . 0.0 110.089 175.98 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.02 81.31 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 120.068 -1.645 . . . . 0.0 107.995 178.689 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.5 m -58.68 -44.92 90.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.901 0.48 . . . . 0.0 110.407 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -70.56 -41.79 71.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.111 -0.993 . . . . 0.0 113.254 -178.705 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -67.6 -30.67 70.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.054 0.942 . . . . 0.0 112.748 177.437 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.05 -49.88 3.41 Favored Glycine 0 CA--C 1.535 1.295 0 N-CA-C 115.661 1.025 . . . . 0.0 115.661 177.806 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -120.25 -6.45 9.88 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -177.298 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 114.922 -178.141 . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -58.04 -43.62 86.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 112.65 177.47 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -66.05 -32.47 73.95 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 120.532 1.515 . . . . 0.0 110.829 177.382 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -40.81 89.12 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.652 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.3 -45.0 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.905 0.882 . . . . 0.0 109.342 176.912 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.04 -36.58 70.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.635 1.107 . . . . 0.0 110.338 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.21 -49.26 62.63 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 176.181 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -58.58 -47.74 83.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.312 1.045 . . . . 0.0 109.949 177.137 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.11 -41.37 88.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.665 0.786 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.42 -41.1 98.7 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.429 0.692 . . . . 0.0 110.961 177.301 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -61.66 -51.06 70.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.106 0.962 . . . . 0.0 109.785 177.203 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 8.5 mm-40 -61.75 -41.26 97.43 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.805 -0.56 . . . . 0.0 111.408 177.164 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.65 -32.17 72.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 177.238 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -71.07 -42.55 69.25 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 176.472 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 85.3 mttt -61.88 -43.5 98.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.845 0.858 . . . . 0.0 109.312 176.966 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.78 -46.26 87.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.047 0.939 . . . . 0.0 109.81 177.044 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.55 -31.27 72.38 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.619 177.471 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -68.93 -45.1 71.69 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.817 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -59.99 -42.28 93.86 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.099 0.96 . . . . 0.0 110.455 176.682 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.422 1.089 . . . . 0.0 110.458 177.473 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.31 86.13 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.384 -0.823 . . . . 0.0 110.64 177.131 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.4 m -59.29 -48.79 80.3 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.43 -0.794 . . . . 0.0 111.816 177.075 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.38 -41.22 89.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.842 0.747 . . . . 0.0 112.683 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 p -70.78 -33.18 70.49 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.297 -0.877 . . . . 0.0 113.327 177.808 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.37 -25.82 22.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.538 1.066 . . . . 0.0 115.345 -179.036 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -152.25 24.02 0.63 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.084 1.942 . . . . 0.0 114.655 -178.844 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.544 0 C-N-CA 124.446 1.022 . . . . 0.0 112.982 178.206 . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.9 tp . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -58.35 -51.61 69.06 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.732 1.213 . . . . 0.0 110.049 178.562 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -67.61 -27.09 66.6 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 119.229 0.922 . . . . 0.0 110.856 179.695 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.36 -43.96 54.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.048 . . . . 0.0 109.336 177.729 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.33 -48.03 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.809 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.26 -34.06 73.2 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.08 1.309 . . . . 0.0 108.164 177.377 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.28 -44.68 90.25 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 178.808 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.44 -47.56 85.57 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.612 1.706 . . . . 0.0 106.57 176.992 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.0 -37.02 78.46 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.448 1.022 . . . . 0.0 110.886 177.213 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.95 93.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.332 1.053 . . . . 0.0 110.081 176.724 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.89 -43.41 79.39 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.474 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 12.0 mm-40 -65.21 -37.15 86.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.648 -1.282 . . . . 0.0 108.385 179.241 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.433 -1.31 0 O-C-N 120.121 -1.612 . . . . 0.0 107.771 178.579 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -63.3 -45.93 89.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.33 1.452 . . . . 0.0 108.634 177.803 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.9 mttt -59.79 -47.37 85.95 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.678 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.59 -38.13 86.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 110.166 179.445 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.83 -36.06 81.49 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.368 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -66.97 -45.86 76.39 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 176.158 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.73 -33.13 68.13 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.819 175.244 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.86 -42.23 81.66 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.142 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.93 96.66 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.703 -1.248 . . . . 0.0 108.454 178.408 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.9 m -68.24 -55.81 10.9 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 122.065 -0.397 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.1 -38.9 58.84 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 177.186 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.89 -27.8 66.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.835 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.01 -22.29 12.27 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.499 1.045 . . . . 0.0 113.623 177.301 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.5 m -157.33 91.7 1.19 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 128.349 2.66 . . . . 0.0 108.941 -178.127 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.755 0 C-N-CA 124.09 0.853 . . . . 0.0 112.051 -177.537 . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -56.8 -47.11 80.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.383 1.073 . . . . 0.0 113.368 179.939 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -65.6 -33.92 77.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.122 1.328 . . . . 0.0 110.792 177.446 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -38.31 80.5 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.159 0.436 . . . . 0.0 109.881 176.408 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.01 1.724 . . . . 0.0 108.914 176.92 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.69 -47.6 79.52 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.43 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.76 97.72 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 179.123 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.59 -46.92 71.23 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 115.275 -2.297 . . . . 0.0 109.508 177.287 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.59 -40.93 84.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 120.236 1.38 . . . . 0.0 111.348 177.791 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 117.033 -1.461 . . . . 0.0 109.685 176.377 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.62 -43.14 90.45 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.741 175.797 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.24 -40.28 95.63 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 119.1 0.864 . . . . 0.0 108.986 177.943 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -34.81 77.29 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.434 -1.416 . . . . 0.0 109.646 177.321 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -42.86 99.76 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.387 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -58.1 -48.85 78.92 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.818 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.65 -42.51 88.53 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.396 -179.739 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.77 -45.2 94.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 120.088 1.313 . . . . 0.0 109.775 176.571 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -62.44 -39.69 94.17 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.827 -1.171 . . . . 0.0 110.071 178.063 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.07 -48.21 74.55 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.04 177.995 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.94 -41.54 99.52 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 119.754 1.161 . . . . 0.0 111.309 178.207 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -32.55 72.91 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -76.4 -55.09 5.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.1 1.36 . . . . 0.0 109.576 178.175 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -55.35 -39.9 70.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.92 1.688 . . . . 0.0 113.125 -177.721 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.9 p -62.56 -17.61 60.33 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 176.88 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.88 -29.16 4.46 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 125.643 1.592 . . . . 0.0 111.529 176.847 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -160.65 100.38 1.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.261 1.424 . . . . 0.0 109.678 -179.757 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.639 0 C-N-CA 128.057 2.742 . . . . 0.0 107.778 -177.545 . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 118.653 -0.689 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -61.05 -48.43 81.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.702 1.137 . . . . 0.0 112.318 177.29 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -67.45 -27.66 67.23 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 119.789 1.177 . . . . 0.0 110.989 177.55 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.466 -0.771 . . . . 0.0 109.946 178.347 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.71 -49.06 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.166 1.386 . . . . 0.0 108.878 176.809 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.49 -41.98 95.39 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.518 1.054 . . . . 0.0 109.572 177.222 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.91 -45.22 96.23 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.013 0.816 . . . . 0.0 111.591 177.223 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.66 -47.11 76.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.607 1.204 . . . . 0.0 109.155 177.077 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.91 -54.69 39.37 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.479 1.512 . . . . 0.0 110.683 177.365 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.9 m -60.54 -35.69 76.62 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.691 0.678 . . . . 0.0 111.035 179.811 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -51.53 61.5 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.424 1.011 . . . . 0.0 109.939 177.146 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -64.64 -33.34 75.71 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.096 0.862 . . . . 0.0 111.521 177.485 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.69 -35.35 75.01 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.739 1.154 . . . . 0.0 108.501 177.225 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -67.64 -34.26 76.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.947 1.248 . . . . 0.0 107.713 176.384 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -70.58 -39.45 73.87 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.571 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.52 -41.2 98.71 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.784 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.86 -37.0 85.12 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.204 0.911 . . . . 0.0 108.73 177.168 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -68.29 -42.47 79.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.511 1.124 . . . . 0.0 108.709 177.345 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -63.37 -36.9 85.25 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.697 1.135 . . . . 0.0 108.736 177.318 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.57 -45.36 79.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.603 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.65 79.52 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.303 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.653 1.181 . . . . 0.0 108.89 178.162 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -60.96 -34.9 75.46 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.876 0.762 . . . . 0.0 111.898 177.654 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -69.14 -15.14 63.35 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.332 0.969 . . . . 0.0 111.992 177.558 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.13 -44.79 1.44 Allowed Glycine 0 C--N 1.346 1.116 0 C-N-CA 126.098 1.808 . . . . 0.0 109.393 -177.602 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -147.09 83.84 1.58 Allowed 'General case' 0 CA--C 1.538 0.514 0 O-C-N 119.967 -1.902 . . . . 0.0 110.28 179.776 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 C-N-CA 125.916 1.722 . . . . 0.0 110.48 178.884 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -57.65 -50.1 74.29 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.052 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.1 p -65.83 -35.37 80.48 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 120.057 1.298 . . . . 0.0 111.257 178.749 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -42.51 73.77 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.265 -0.897 . . . . 0.0 111.585 177.33 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.15 -42.02 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.543 1.065 . . . . 0.0 109.313 176.731 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.56 -42.05 95.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.171 1.351 . . . . 0.0 108.03 177.785 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.28 99.52 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.211 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -64.79 -41.42 95.84 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.662 -1.161 . . . . 0.0 109.415 176.966 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.57 -45.21 95.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.643 1.11 . . . . 0.0 108.24 176.761 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 m -59.62 -37.92 79.94 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.051 0.841 . . . . 0.0 110.58 176.801 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.91 -47.97 78.45 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.758 1.223 . . . . 0.0 109.664 176.654 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.33 -33.29 74.94 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.641 1.109 . . . . 0.0 109.294 178.681 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.83 -37.84 82.44 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.241 1.837 . . . . 0.0 108.501 176.576 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -65.55 -37.14 85.85 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.995 1.318 . . . . 0.0 107.779 176.813 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.27 -41.12 90.35 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.188 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.245 1.384 . . . . 0.0 107.667 179.968 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.57 -35.52 81.07 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.979 -1.076 . . . . 0.0 110.07 176.575 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -64.81 -44.38 90.07 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 108.468 176.286 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.596 -1.315 . . . . 0.0 109.245 178.357 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.35 -43.52 96.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.902 1.281 . . . . 0.0 110.758 177.22 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.1 75.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.794 0.838 . . . . 0.0 109.862 177.322 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.3 m -60.7 -48.4 81.96 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.115 -0.991 . . . . 0.0 109.812 179.087 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.696 1.199 . . . . 0.0 111.572 -179.037 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -65.02 -17.58 64.56 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 176.729 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.75 -30.86 6.59 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.382 1.468 . . . . 0.0 112.239 176.566 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.3 m -162.94 98.37 0.95 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.826 2.45 . . . . 0.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.889 0 C-N-CA 125.688 1.613 . . . . 0.0 110.454 -177.491 . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.9 tp . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -52.2 -52.41 52.35 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.483 1.513 . . . . 0.0 112.913 -179.279 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.8 p -65.99 -33.39 75.7 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.661 0.664 . . . . 0.0 111.71 177.806 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.92 74.28 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.041 0.837 . . . . 0.0 110.944 177.225 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.22 -48.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.131 1.332 . . . . 0.0 108.738 177.353 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 mt -54.87 -46.21 74.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.063 0.847 . . . . 0.0 109.391 177.296 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.76 98.32 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 177.725 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.69 -44.97 95.92 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.166 1.483 . . . . 0.0 109.54 177.118 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.22 -48.98 78.68 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.365 0.984 . . . . 0.0 109.359 177.155 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -39.68 89.81 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.995 177.608 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.38 -46.77 78.79 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.121 0.969 . . . . 0.0 111.04 177.115 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 16.7 mm-40 -65.41 -38.64 90.54 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.914 1.234 . . . . 0.0 109.764 177.1 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -63.54 -30.58 71.68 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.971 -1.08 . . . . 0.0 110.926 175.587 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.84 -48.28 63.9 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.857 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 87.5 mttt -58.38 -42.49 87.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.36 1.064 . . . . 0.0 109.469 177.086 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.12 -42.31 98.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.676 -0.678 . . . . 0.0 109.369 177.052 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.39 -39.72 94.15 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.039 0.836 . . . . 0.0 109.021 176.879 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -65.86 -45.42 82.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.182 0.901 . . . . 0.0 109.944 177.947 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -60.18 -45.05 94.44 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.807 0.843 . . . . 0.0 109.656 177.249 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.97 -45.12 95.02 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.415 1.086 . . . . 0.0 110.433 178.061 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.57 68.87 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.526 1.131 . . . . 0.0 111.347 177.765 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -76.66 -47.8 20.99 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 176.317 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.09 -39.64 79.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.518 1.527 . . . . 0.0 113.2 179.287 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -65.81 -21.0 66.46 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.522 1.129 . . . . 0.0 112.9 177.444 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.19 -26.55 6.93 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.837 1.208 . . . . 0.0 113.131 177.241 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -158.9 89.83 0.96 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.791 2.036 . . . . 0.0 110.818 178.043 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.305 0 CA-C-O 119.134 -0.815 . . . . 0.0 111.606 -178.972 . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.5 -47.44 81.69 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.087 0.555 . . . . 0.0 111.881 178.243 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -62.44 -30.49 71.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.128 0.876 . . . . 0.0 110.466 176.724 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -45.56 77.74 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.62 0.768 . . . . 0.0 108.971 177.311 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.15 -51.6 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.726 1.21 . . . . 0.0 109.994 177.272 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.62 -48.83 71.76 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.773 0.715 . . . . 0.0 110.736 177.182 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.23 90.8 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.078 0.847 . . . . 0.0 111.735 177.505 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.4 -48.39 81.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.328 1.064 . . . . 0.0 110.721 176.903 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.9 mt -54.97 -46.77 75.09 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.572 1.078 . . . . 0.0 111.261 177.071 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m -64.86 -41.02 96.02 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.893 177.767 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -45.6 92.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.722 0.809 . . . . 0.0 111.998 177.057 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.94 -41.66 92.33 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.358 0.981 . . . . 0.0 109.481 177.523 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.5 mt -63.96 -36.39 83.79 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 121.213 -0.93 . . . . 0.0 110.825 176.626 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.81 -41.72 97.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.945 1.298 . . . . 0.0 110.46 176.601 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.99 -49.42 76.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.999 0.92 . . . . 0.0 108.792 176.743 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.1 mt -54.99 -45.39 75.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.329 1.052 . . . . 0.0 111.169 177.581 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -63.74 -37.51 87.63 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.117 0.871 . . . . 0.0 110.965 177.222 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -66.21 -42.67 88.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 110.363 177.385 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -62.46 -47.35 84.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.081 0.952 . . . . 0.0 108.942 177.487 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.75 -55.03 39.41 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.403 1.481 . . . . 0.0 110.813 177.659 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.23 -52.92 18.91 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.737 1.215 . . . . 0.0 110.422 177.497 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 m -58.98 -52.84 64.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.149 0.98 . . . . 0.0 111.674 178.192 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.42 -30.62 65.11 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 113.528 -177.545 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -58.75 -38.08 77.66 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.679 1.127 . . . . 0.0 112.735 179.371 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.68 -24.1 6.55 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.197 0.903 . . . . 0.0 114.499 -179.863 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -136.95 65.35 1.51 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.36 1.464 . . . . 0.0 110.399 -178.106 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 CA-C-O 119.087 -0.841 . . . . 0.0 113.777 -179.011 . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 . . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -58.46 -46.68 86.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 112.803 -178.999 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -67.48 -30.79 70.58 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.174 0.897 . . . . 0.0 110.934 176.933 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.24 -44.68 78.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.646 0.779 . . . . 0.0 110.296 176.617 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.17 -48.98 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.144 0.883 . . . . 0.0 108.741 177.468 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -54.07 -55.93 22.82 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.364 1.066 . . . . 0.0 110.532 177.169 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.93 92.26 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 123.548 0.594 . . . . 0.0 113.874 178.235 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.19 -51.14 65.22 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.873 0.869 . . . . 0.0 109.274 177.715 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.65 -36.34 78.45 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.512 0.725 . . . . 0.0 111.513 177.871 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -62.92 -37.81 88.46 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.813 1.188 . . . . 0.0 110.51 176.308 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -36.68 75.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.912 0.885 . . . . 0.0 109.883 176.831 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.26 -39.49 89.5 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.765 -1.21 . . . . 0.0 108.218 176.838 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.0 -30.78 71.39 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.113 -0.992 . . . . 0.0 109.191 176.725 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -67.11 -45.39 77.36 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 177.712 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -58.41 -44.07 88.88 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.023 0.828 . . . . 0.0 109.07 176.704 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.22 -37.52 83.33 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 117.263 -1.351 . . . . 0.0 110.119 177.047 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.93 -39.0 92.83 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 120.413 1.461 . . . . 0.0 108.363 176.795 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -63.9 -42.5 97.42 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.945 0.793 . . . . 0.0 109.559 176.763 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -64.64 -40.89 96.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.563 0.745 . . . . 0.0 110.412 177.331 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.66 -46.36 85.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.748 1.219 . . . . 0.0 111.007 177.257 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.06 71.64 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.246 177.571 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -73.44 -54.38 8.41 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 108.941 177.328 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -57.37 -32.41 66.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.219 1.808 . . . . 0.0 114.996 -177.363 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -63.21 -27.7 69.54 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.492 0.587 . . . . 0.0 112.469 177.541 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.37 -66.52 0.7 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.04 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.3 m -90.94 76.28 6.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.374 2.269 . . . . 0.0 109.495 177.452 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 116.212 1.245 . . . . 0.0 116.212 177.447 . . . . . . . . 0 0 . 1 . 078 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 078 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -59.56 -45.33 92.15 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 113.57 178.884 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.1 p -67.96 -34.99 77.63 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.471 1.032 . . . . 0.0 109.793 179.38 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -42.57 88.8 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.657 0.662 . . . . 0.0 110.09 177.192 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 t -64.13 -50.75 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.015 0.926 . . . . 0.0 109.581 177.414 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.57 -48.81 68.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 110.32 177.383 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.09 -51.65 57.05 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.241 0.925 . . . . 0.0 112.518 177.246 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -57.84 -42.93 85.43 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.872 1.336 . . . . 0.0 110.295 178.014 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.45 -45.81 90.55 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.967 0.803 . . . . 0.0 110.573 177.255 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.8 m -65.21 -33.72 76.67 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 116.582 -1.675 . . . . 0.0 110.833 176.977 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.72 -46.8 74.34 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.858 1.208 . . . . 0.0 109.382 177.422 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 71.5 mm-40 -65.83 -37.92 87.5 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.816 -1.177 . . . . 0.0 108.889 178.846 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 mt -63.57 -33.64 76.04 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.026 -1.671 . . . . 0.0 108.592 177.045 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -65.84 -36.73 84.29 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.01 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 83.9 mttt -66.28 -42.45 88.41 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.746 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.43 -40.57 97.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.266 0.939 . . . . 0.0 110.242 177.26 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.75 -38.27 90.49 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.397 0.999 . . . . 0.0 108.866 176.763 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 m -64.95 -46.52 81.22 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.336 1.055 . . . . 0.0 108.318 177.114 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.39 -37.42 87.21 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.468 -1.395 . . . . 0.0 107.924 179.532 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -60.87 -38.7 86.47 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.176 0.898 . . . . 0.0 110.083 178.947 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.37 -8.04 29.64 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.699 1.199 . . . . 0.0 113.75 176.387 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -104.6 -36.66 7.41 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 127.582 2.353 . . . . 0.0 106.72 177.387 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -63.67 -25.18 68.09 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 125.088 1.355 . . . . 0.0 109.625 -177.893 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -67.42 -0.21 3.49 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.49 1.916 . . . . 0.0 112.704 177.464 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.77 -78.44 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 128.552 2.977 . . . . 0.0 106.303 177.79 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -94.99 84.72 4.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.411 1.485 . . . . 0.0 109.224 178.444 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.263 0 O-C-N 121.553 -0.717 . . . . 0.0 114.399 179.244 . . . . . . . . 0 0 . 1 . 079 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 CA--C 1.545 0.76 0 CA-C-O 118.99 -0.528 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 079 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -58.59 -46.45 86.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 0.0 112.376 178.377 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.0 p -65.21 -24.69 67.43 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.531 1.06 . . . . 0.0 111.856 178.119 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -43.12 78.69 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.527 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.86 -58.41 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.009 1.323 . . . . 0.0 112.178 177.219 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.66 -40.28 78.98 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.114 1.766 . . . . 0.0 110.217 179.995 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.63 -43.33 76.84 Favored Glycine 0 CA--C 1.543 1.801 0 CA-C-O 117.433 -1.76 . . . . 0.0 108.816 179.513 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -63.41 -40.65 97.77 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.343 2.072 . . . . 0.0 109.862 177.008 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.34 -41.62 93.98 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.806 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -68.91 -37.26 78.84 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -176.816 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -44.36 89.49 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 120.988 1.722 . . . . 0.0 108.056 177.323 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -61.89 -39.12 90.85 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.355 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.41 -35.77 82.0 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.072 -1.642 . . . . 0.0 107.611 -179.373 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.86 -44.12 90.74 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.283 1.033 . . . . 0.0 108.638 176.061 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -61.87 -37.83 86.03 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.967 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.95 -37.01 85.37 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.921 178.27 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.95 -43.57 92.26 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.218 0.917 . . . . 0.0 108.62 177.404 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -64.58 -43.03 95.16 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.48 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -62.36 -40.6 96.97 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.057 -1.027 . . . . 0.0 108.958 177.165 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.96 -39.82 94.06 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.721 -1.237 . . . . 0.0 110.413 177.99 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.73 68.02 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 118.657 0.662 . . . . 0.0 111.122 177.251 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.9 m -86.37 -38.21 17.65 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.91 1.684 . . . . 0.0 110.337 174.797 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' C ' ' H ' ' A' ' 28' ' ' GLY . 13.5 t-20 -58.65 -30.89 67.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.016 1.727 . . . . 0.0 113.137 -178.224 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -63.71 3.33 0.37 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.897 2.079 . . . . 0.0 112.98 177.826 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 26' ' ' ASN . . . -147.54 -76.84 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 C-N-CA 130.116 3.722 . . . . 0.0 107.353 -178.507 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -89.37 77.52 7.35 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 126.557 1.943 . . . . 0.0 110.769 178.336 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.663 0 O-C-N 119.51 -1.994 . . . . 0.0 112.299 177.249 . . . . . . . . 0 0 . 1 . 080 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 . . . . . . . . . 0 0 . 1 . 080 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -58.41 -56.19 25.29 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.439 1.096 . . . . 0.0 113.053 -177.529 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.51 -34.52 78.1 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.545 0.611 . . . . 0.0 111.522 177.815 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 t -65.51 -45.0 85.24 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.288 0.949 . . . . 0.0 110.818 177.919 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.15 -48.99 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.75 177.129 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.97 -33.74 72.36 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.118 0.872 . . . . 0.0 110.916 177.202 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -44.28 57.44 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 177.684 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.11 -44.08 89.91 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.238 1.019 . . . . 0.0 109.09 177.842 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.62 -46.21 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.971 0.908 . . . . 0.0 109.718 176.714 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -60.36 -39.31 86.72 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.847 0.859 . . . . 0.0 111.549 175.528 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -49.87 73.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.349 1.06 . . . . 0.0 110.203 177.165 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.18 -38.49 91.39 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.293 -0.879 . . . . 0.0 109.79 178.201 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.1 -34.99 79.31 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 119.168 0.894 . . . . 0.0 109.038 177.083 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.63 -37.93 85.87 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 109.461 176.403 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.33 -44.92 86.24 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.486 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.25 -39.53 90.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.733 1.151 . . . . 0.0 111.142 176.134 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.86 -40.86 98.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.133 1.373 . . . . 0.0 109.844 177.914 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -72.22 -42.28 65.91 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.52 1.128 . . . . 0.0 109.646 177.179 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -58.75 -41.19 85.95 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.115 1.366 . . . . 0.0 109.114 177.109 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 tp -59.93 -51.66 68.76 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.177 1.391 . . . . 0.0 110.044 177.938 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.88 39.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.582 0.753 . . . . 0.0 109.951 178.107 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -61.17 -44.51 97.2 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.316 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.6 -35.85 66.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.406 1.483 . . . . 0.0 114.716 178.408 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.6 p -62.27 -10.34 10.63 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 177.688 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.0 -56.13 0.15 Allowed Glycine 0 N--CA 1.474 1.209 0 C-N-CA 126.723 2.106 . . . . 0.0 113.079 177.37 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -113.46 76.07 0.96 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.983 2.113 . . . . 0.0 110.85 176.65 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 C-N-CA 125.77 1.652 . . . . 0.0 109.927 177.395 . . . . . . . . 0 0 . 1 . 081 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 . . . . . . . . . 0 0 . 1 . 081 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -54.71 -52.47 62.35 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.286 1.034 . . . . 0.0 112.942 -177.824 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 p -69.65 -30.75 68.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.725 178.86 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -65.02 -42.14 94.67 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 120.417 1.462 . . . . 0.0 108.769 -179.049 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.8 -47.78 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.668 177.27 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.72 -43.98 77.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.301 0.955 . . . . 0.0 111.195 177.028 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.81 85.15 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 126.395 1.95 . . . . 0.0 110.613 178.201 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.84 -49.77 74.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.732 1.266 . . . . 0.0 110.085 177.295 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.14 -44.91 83.83 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.222 0.919 . . . . 0.0 110.524 177.011 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -60.71 -39.13 87.4 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.907 0.883 . . . . 0.0 111.115 177.3 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.43 -49.38 69.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.816 0.847 . . . . 0.0 110.287 177.32 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.8 -45.85 91.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.815 -1.178 . . . . 0.0 109.722 177.6 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -60.26 -43.08 96.46 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.529 1.132 . . . . 0.0 109.159 177.054 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.29 -39.08 93.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.842 -1.161 . . . . 0.0 110.1 179.259 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -58.91 -48.1 82.65 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 119.888 -1.757 . . . . 0.0 108.515 177.327 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.44 -45.78 84.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.899 1.28 . . . . 0.0 108.156 177.308 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 124.563 1.145 . . . . 0.0 108.408 -179.117 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -65.36 -48.55 72.58 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.551 1.069 . . . . 0.0 110.718 178.247 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -58.17 -49.39 77.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.54 0.736 . . . . 0.0 111.302 177.404 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.32 -51.23 70.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.118 1.767 . . . . 0.0 111.814 179.055 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.26 77.93 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.169 0.988 . . . . 0.0 110.719 177.564 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -67.1 -46.04 75.43 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.225 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -57.31 -38.55 74.2 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.289 1.836 . . . . 0.0 112.889 -178.925 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -11.34 19.9 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.062 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.05 -56.45 0.33 Allowed Glycine 0 CA--C 1.555 2.553 0 C-N-CA 127.267 2.365 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -128.73 85.19 2.3 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.827 2.051 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.697 0 N-CA-C 107.643 -2.183 . . . . 0.0 107.643 176.943 . . . . . . . . 0 0 . 1 . 082 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 082 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -52.92 -55.05 26.18 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.501 1.52 . . . . 0.0 112.903 -177.997 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.8 p -66.65 -38.19 86.35 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.203 -0.903 . . . . 0.0 112.0 177.698 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.29 -43.46 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.644 1.111 . . . . 0.0 113.201 -179.61 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.44 -52.98 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.137 0.881 . . . . 0.0 110.267 177.344 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.5 -44.85 93.0 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.729 0.412 . . . . 0.0 111.191 177.553 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.64 -44.81 93.84 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 124.339 0.971 . . . . 0.0 112.1 177.319 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -64.84 -40.86 95.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.177 0.989 . . . . 0.0 110.087 177.345 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.83 -41.97 98.46 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.551 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 m -62.89 -40.8 98.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.754 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.33 -47.58 85.42 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.798 1.239 . . . . 0.0 110.837 177.329 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 72.7 mm-40 -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.068 0.849 . . . . 0.0 110.009 177.472 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.88 -37.88 88.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.359 0.664 . . . . 0.0 109.666 177.702 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -62.34 -40.98 98.13 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.189 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 74.7 mttt -57.94 -46.53 84.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.464 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.54 -43.38 97.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.015 0.926 . . . . 0.0 109.89 178.248 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.16 -48.25 82.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.397 1.079 . . . . 0.0 109.861 177.121 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.3 m -62.99 -41.85 99.68 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.432 -0.792 . . . . 0.0 109.658 177.993 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.62 -48.74 80.43 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.393 -1.442 . . . . 0.0 107.995 -179.631 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.56 -49.59 76.92 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.32 0.964 . . . . 0.0 110.7 178.052 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -10.93 6.47 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.63 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -109.54 -36.95 5.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.64 1.576 . . . . 0.0 109.545 179.568 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.65 -31.63 66.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.47 1.508 . . . . 0.0 114.215 -176.842 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -61.58 -17.82 56.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.977 1.311 . . . . 0.0 113.13 178.516 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.2 -60.5 0.21 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 126.656 2.074 . . . . 0.0 112.075 177.124 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.3 m -111.21 73.83 0.84 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.275 1.83 . . . . 0.0 111.233 -179.177 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.389 0 C-N-CA 126.215 1.864 . . . . 0.0 111.617 177.373 . . . . . . . . 0 0 . 1 . 083 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 . . . . . . . . . 0 0 . 1 . 083 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -54.36 -34.71 61.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.855 1.262 . . . . 0.0 113.597 -177.306 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.8 p -94.5 -16.11 23.6 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.365 -0.834 . . . . 0.0 112.993 177.343 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -50.46 -64.69 0.73 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.479 1.512 . . . . 0.0 114.63 -177.283 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.12 -42.69 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.455 -178.027 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.47 -34.06 77.33 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.187 0.903 . . . . 0.0 111.609 177.421 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.95 59.64 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.737 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -56.9 -53.8 53.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.506 1.122 . . . . 0.0 108.058 177.026 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -56.62 -43.77 80.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.829 1.252 . . . . 0.0 112.484 178.636 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -63.92 -41.68 97.58 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.358 0.527 . . . . 0.0 112.194 177.464 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.24 -41.45 85.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.534 0.606 . . . . 0.0 109.751 176.531 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.49 -42.1 99.26 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.205 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.0 -41.47 99.59 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.393 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.06 -41.02 91.46 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.981 0.912 . . . . 0.0 109.782 178.036 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.12 -49.94 70.21 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.401 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.26 -43.7 83.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.692 1.197 . . . . 0.0 111.542 177.396 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.56 -37.94 85.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 110.273 176.464 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.7 m -67.05 -44.09 81.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.595 1.158 . . . . 0.0 110.93 176.301 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -61.14 -43.75 98.4 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.416 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.73 -42.53 99.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.945 1.298 . . . . 0.0 111.294 177.878 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.02 93.06 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.324 0.65 . . . . 0.0 109.892 179.373 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -58.51 -38.49 77.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.533 1.133 . . . . 0.0 111.981 176.655 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -55.23 -47.19 75.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.781 1.233 . . . . 0.0 112.623 -179.15 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -26.4 2.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.259 2.224 . . . . 0.0 116.43 -177.935 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -22.03 0.63 Allowed Glycine 0 N--CA 1.476 1.317 0 N-CA-C 116.163 1.225 . . . . 0.0 116.163 -178.605 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -128.77 -0.69 5.4 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.082 1.441 . . . . 0.0 114.801 -176.899 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.707 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 177.785 . . . . . . . . 0 0 . 1 . 084 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 084 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -48.82 -40.14 28.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.462 1.905 . . . . 0.0 113.315 177.171 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -98.76 -29.37 13.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 177.514 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.4 -50.97 71.91 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.431 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.68 -57.02 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.933 1.242 . . . . 0.0 111.022 -177.435 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.51 -42.88 83.65 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.849 -0.532 . . . . 0.0 110.964 177.268 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.86 87.63 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.758 1.171 . . . . 0.0 112.395 177.354 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.35 -44.21 97.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.725 1.262 . . . . 0.0 110.227 177.454 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.12 -53.11 62.0 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.58 0.627 . . . . 0.0 109.962 177.236 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -58.2 -45.38 87.73 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.442 1.097 . . . . 0.0 112.789 177.997 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.9 -43.21 96.66 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.512 1.051 . . . . 0.0 113.047 -178.792 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.41 -36.77 74.23 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.065 -1.445 . . . . 0.0 110.265 176.052 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -62.85 -36.43 83.21 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.016 0.826 . . . . 0.0 110.347 177.1 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.82 -41.39 91.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.58 1.152 . . . . 0.0 109.599 178.956 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.01 -48.13 77.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.423 -0.798 . . . . 0.0 108.965 177.991 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt -55.88 -42.22 75.61 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 124.736 1.215 . . . . 0.0 109.222 177.412 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -60.5 -41.18 93.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.701 1.2 . . . . 0.0 110.417 177.127 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -62.32 -46.11 90.2 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.492 -1.38 . . . . 0.0 109.738 175.963 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -64.42 -34.3 77.87 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 118.978 0.808 . . . . 0.0 111.678 176.93 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.27 -39.9 92.1 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.497 176.61 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.65 93.29 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.445 1.09 . . . . 0.0 108.552 176.583 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -67.19 -41.16 86.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.928 -1.108 . . . . 0.0 108.713 179.95 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.65 -48.61 80.99 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.007 -1.058 . . . . 0.0 113.039 177.124 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -71.52 -30.62 66.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.365 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.77 -59.16 1.28 Allowed Glycine 0 C--N 1.346 1.095 0 N-CA-C 117.183 1.633 . . . . 0.0 117.183 -177.886 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -101.4 -10.11 20.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -177.899 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.072 0 O-C-N 118.644 -2.535 . . . . 0.0 113.659 -176.793 . . . . . . . . 0 0 . 1 . 085 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 . . . . . . . . . 0 0 . 1 . 085 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -48.43 -60.83 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.717 2.007 . . . . 0.0 113.386 -178.745 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.2 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.511 -0.281 . . . . 0.0 111.369 -179.87 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.3 t -67.02 -40.32 87.24 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.055 -1.028 . . . . 0.0 113.717 -178.657 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.88 -49.69 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 CA-C-N 119.148 0.885 . . . . 0.0 109.777 177.291 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.59 -42.59 98.27 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.194 178.892 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.52 56.64 Favored Glycine 0 N--CA 1.472 1.087 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 177.188 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.91 -52.03 67.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 118.316 -0.849 . . . . 0.0 108.942 178.742 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.19 -48.97 77.42 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.824 0.738 . . . . 0.0 112.809 -178.328 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.8 m -60.56 -34.95 74.92 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 119.111 0.869 . . . . 0.0 109.537 177.132 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -70.94 -39.73 72.46 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 116.156 -1.878 . . . . 0.0 107.532 179.448 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 -179.821 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.44 -38.22 90.31 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.823 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -69.83 -31.51 69.43 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.335 -179.411 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -62.06 -40.53 96.11 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.905 1.23 . . . . 0.0 109.074 175.361 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.8 -38.03 89.05 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.206 0.941 . . . . 0.0 110.117 175.918 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.46 -35.28 80.42 Favored 'General case' 0 C--N 1.366 1.324 0 CA-C-N 118.715 0.689 . . . . 0.0 109.213 177.363 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -64.87 -44.42 89.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.017 -1.677 . . . . 0.0 108.77 178.45 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -64.87 -43.78 91.86 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.407 -0.808 . . . . 0.0 110.013 178.014 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.25 -44.22 95.44 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 126.251 1.82 . . . . 0.0 111.805 176.987 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.8 96.39 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 123.853 0.861 . . . . 0.0 109.779 176.306 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -62.76 -43.61 98.34 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.168 0.987 . . . . 0.0 109.739 177.832 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -61.74 -33.52 74.19 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.2 1.0 . . . . 0.0 110.459 178.154 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -75.88 -54.12 7.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.103 0.961 . . . . 0.0 112.991 177.342 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.89 -14.39 72.69 Favored Glycine 0 CA--C 1.541 1.684 0 N-CA-C 117.744 1.858 . . . . 0.0 117.744 -177.389 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.69 -20.96 0.82 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 119.355 1.578 . . . . 0.0 113.58 -177.927 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 O-C-N 120.628 -1.295 . . . . 0.0 112.556 179.095 . . . . . . . . 0 0 . 1 . 086 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.8 mt . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 086 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -23.88 -69.41 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -178.085 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.261 80.1 p -68.83 -34.08 74.91 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 177.244 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.2 t -69.69 -39.56 76.88 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.089 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.37 -49.52 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.393 1.477 . . . . 0.0 108.762 177.026 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.89 -52.32 65.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.709 0.804 . . . . 0.0 110.798 177.497 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.23 59.51 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 123.867 0.746 . . . . 0.0 112.171 177.522 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -61.15 -50.39 73.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.632 0.773 . . . . 0.0 111.092 177.237 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.15 -52.8 57.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.057 1.343 . . . . 0.0 112.26 178.105 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.94 -36.84 80.39 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.462 0.705 . . . . 0.0 111.601 177.058 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -70.66 -41.26 72.33 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 119.825 1.193 . . . . 0.0 111.101 178.606 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 52.0 mm-40 -63.96 -37.52 87.72 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.045 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -66.07 -38.74 89.07 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.263 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.95 -37.59 88.15 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.44 -0.788 . . . . 0.0 110.066 178.69 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 86.9 mttt -62.02 -44.88 95.77 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.461 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.7 mt -63.13 -33.41 75.41 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-O 117.355 -1.307 . . . . 0.0 108.615 -179.734 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.24 -35.43 80.39 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 119.566 1.075 . . . . 0.0 109.108 176.321 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -65.66 -42.78 90.98 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.092 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -64.46 -44.84 89.8 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.035 0.534 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 tp -57.02 -49.2 76.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.121 1.768 . . . . 0.0 111.881 176.629 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.74 78.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.943 . . . . 0.0 110.474 177.858 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -59.03 -43.51 91.61 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.167 0.987 . . . . 0.0 111.874 178.133 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.26 -31.87 73.25 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.158 -0.964 . . . . 0.0 112.006 178.009 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.4 m -75.72 -46.85 28.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.367 1.467 . . . . 0.0 112.575 179.604 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.92 -18.04 48.97 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 116.589 1.395 . . . . 0.0 116.589 -178.81 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -130.25 -51.52 1.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.625 1.213 . . . . 0.0 113.807 -177.5 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.47 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -177.666 . . . . . . . . 0 0 . 1 . 087 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 . . . . . . . . . 0 0 . 1 . 087 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -42.71 -64.94 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.444 1.498 . . . . 0.0 114.608 -176.871 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -81.81 -19.95 40.09 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.282 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.92 -43.6 62.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 119.629 -1.92 . . . . 0.0 111.899 178.939 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.1 -52.5 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 124.637 1.175 . . . . 0.0 109.492 177.352 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -44.72 91.79 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.309 0.644 . . . . 0.0 111.147 177.425 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.36 90.03 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.488 -0.618 . . . . 0.0 111.721 176.994 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.91 -46.51 87.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.1 177.29 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 mt -55.16 -51.75 65.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.932 1.242 . . . . 0.0 110.269 177.388 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -61.28 -40.31 93.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.582 0.753 . . . . 0.0 112.545 177.452 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -69.37 -42.14 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.667 1.122 . . . . 0.0 112.033 177.625 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -66.72 -34.58 78.15 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 120.38 1.445 . . . . 0.0 108.861 176.577 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.24 -44.11 96.13 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 174.582 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.78 -35.8 81.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 120.02 -1.675 . . . . 0.0 109.299 179.576 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -66.99 -40.14 87.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.173 -1.579 . . . . 0.0 107.393 178.67 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.64 -43.83 97.81 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.287 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.8 -36.87 82.37 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.769 -1.207 . . . . 0.0 109.163 177.03 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -64.99 -50.08 67.71 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.835 1.254 . . . . 0.0 109.841 176.043 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -58.09 -42.37 85.47 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.726 -1.234 . . . . 0.0 110.654 177.275 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.31 -44.88 95.49 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 126.065 1.746 . . . . 0.0 109.65 179.056 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.08 -53.31 57.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.874 1.27 . . . . 0.0 111.066 175.858 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.8 m -57.28 -38.76 74.44 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.087 -1.633 . . . . 0.0 110.864 177.178 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -68.26 -37.8 81.09 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.097 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.7 m -68.22 -43.34 78.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.173 1.389 . . . . 0.0 112.533 178.212 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.09 49.14 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 -177.056 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 m -136.02 -47.5 0.66 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.144 1.472 . . . . 0.0 114.567 179.429 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.509 0 O-C-N 121.023 -1.048 . . . . 0.0 113.757 -178.508 . . . . . . . . 0 0 . 1 . 088 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 088 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -43.91 -56.0 4.21 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.843 1.657 . . . . 0.0 113.667 -177.288 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -77.57 -41.34 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -61.5 -35.03 76.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.555 0.742 . . . . 0.0 112.959 -177.692 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.68 -52.28 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.699 1.199 . . . . 0.0 109.945 177.249 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.8 -51.63 68.94 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.14 0.976 . . . . 0.0 111.631 177.689 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.42 -49.74 50.44 Favored Glycine 0 N--CA 1.47 0.936 0 C-N-CA 124.621 1.105 . . . . 0.0 112.191 177.843 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -60.83 -50.14 74.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.599 177.483 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.1 tp -54.97 -47.58 74.36 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.556 178.426 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -43.36 91.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 117.536 -1.221 . . . . 0.0 112.296 177.539 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -67.43 -42.45 83.15 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.813 1.188 . . . . 0.0 112.038 177.034 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 12.7 mm-40 -65.42 -39.85 92.64 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.181 0.901 . . . . 0.0 109.157 179.695 . . . . . . . . 2 2 . 1 . 088 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.2 -37.34 87.12 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.392 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -65.82 -39.12 90.57 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 122.019 -0.425 . . . . 0.0 110.164 177.53 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 89.1 mttt -62.87 -35.18 79.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.219 -0.926 . . . . 0.0 109.393 177.44 . . . . . . . . 2 2 . 1 . 088 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 176.892 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -59.23 -41.81 89.54 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.541 1.064 . . . . 0.0 109.692 176.785 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -60.29 -54.58 44.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.622 1.169 . . . . 0.0 111.077 177.194 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -56.3 -45.54 80.21 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.728 -1.232 . . . . 0.0 112.064 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.82 -36.76 84.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.64 1.176 . . . . 0.0 112.225 176.762 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.81 -48.19 72.53 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.015 -1.053 . . . . 0.0 109.157 177.189 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.1 m -56.79 -41.17 77.22 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.617 1.567 . . . . 0.0 110.269 176.578 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -63.82 -41.71 97.81 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.479 -1.388 . . . . 0.0 110.101 178.463 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.4 m -69.48 -35.39 75.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.793 0.837 . . . . 0.0 111.733 -179.113 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.95 -24.89 23.89 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 115.974 1.149 . . . . 0.0 115.974 -177.14 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -135.45 -38.88 0.74 Allowed 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.767 1.283 . . . . 0.0 114.004 -178.261 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.578 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -178.618 . . . . . . . . 0 0 . 1 . 089 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 089 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -45.31 -60.52 2.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.604 1.561 . . . . 0.0 113.72 -177.336 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -73.1 -37.28 66.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.51 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -69.12 -48.59 62.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.401 1.001 . . . . 0.0 113.684 -177.414 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -55.09 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.733 1.213 . . . . 0.0 110.119 -179.283 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.06 -44.37 96.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.931 -0.557 . . . . 0.0 110.598 177.518 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.19 -49.92 54.08 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.775 1.178 . . . . 0.0 112.647 177.184 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -60.02 -50.79 72.33 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 117.569 0.684 . . . . 0.0 110.258 177.332 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -55.17 -45.92 75.77 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.11 0.564 . . . . 0.0 111.25 177.471 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -63.96 -41.38 97.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.82 0.848 . . . . 0.0 111.019 178.676 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.6 -45.21 87.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.431 1.014 . . . . 0.0 111.553 177.316 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.32 -38.66 91.84 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.685 -1.259 . . . . 0.0 109.138 177.103 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.82 -39.19 93.65 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.387 -0.821 . . . . 0.0 109.034 176.991 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.41 -40.8 97.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.605 1.162 . . . . 0.0 109.396 177.321 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -62.02 -42.21 98.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.411 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.87 -42.43 93.72 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.809 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.16 -38.01 87.4 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.467 177.137 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -63.32 -42.4 98.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.098 1.317 . . . . 0.0 109.839 176.93 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.08 -43.28 95.92 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.235 -0.915 . . . . 0.0 109.562 177.395 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.67 -45.95 90.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.098 0.959 . . . . 0.0 110.08 177.305 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.32 84.63 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.278 0.944 . . . . 0.0 109.706 177.277 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.3 m -62.8 -35.57 80.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.524 1.13 . . . . 0.0 110.438 177.059 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -69.88 -51.24 34.85 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.167 -0.958 . . . . 0.0 111.226 177.146 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -59.7 -26.91 65.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.444 1.497 . . . . 0.0 113.174 177.721 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.28 -48.75 2.34 Favored Glycine 0 N--CA 1.472 1.059 0 C-N-CA 124.356 0.979 . . . . 0.0 113.868 179.757 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -117.31 -48.99 2.6 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -177.355 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -177.423 . . . . . . . . 0 0 . 1 . 090 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 090 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -45.02 -52.19 9.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.128 1.771 . . . . 0.0 112.681 -177.939 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -88.59 -40.49 13.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 178.041 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.36 -34.15 77.5 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.367 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -74.24 -52.8 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.905 0.882 . . . . 0.0 109.7 177.395 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.84 -44.97 91.07 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.188 0.595 . . . . 0.0 112.05 177.987 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.34 -49.63 67.39 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 118.993 0.815 . . . . 0.0 112.333 177.409 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.36 -42.17 98.88 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 119.137 -0.458 . . . . 0.0 110.766 177.197 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.37 -47.23 84.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 109.727 177.416 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -40.81 96.4 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.932 0.893 . . . . 0.0 110.2 177.79 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -64.37 -43.79 93.4 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-N 119.856 1.207 . . . . 0.0 109.808 178.351 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.56 -36.49 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.764 0.711 . . . . 0.0 109.99 176.346 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.85 -38.88 92.47 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.865 -1.772 . . . . 0.0 108.296 177.524 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -36.02 82.87 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 177.491 . . . . . . . . 2 2 . 1 . 090 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.48 -48.59 72.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 176.561 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -54.85 -45.55 74.53 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.938 1.295 . . . . 0.0 110.805 176.992 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -59.91 -47.73 84.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.026 0.93 . . . . 0.0 109.263 177.505 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.7 m -62.6 -40.11 95.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.064 1.345 . . . . 0.0 112.239 177.702 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -61.29 -52.55 64.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.348 1.059 . . . . 0.0 109.822 177.669 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.33 -51.16 70.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.313 1.045 . . . . 0.0 111.641 177.344 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.48 76.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.528 0.731 . . . . 0.0 111.283 177.506 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.8 m -66.4 -38.04 86.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.809 0.844 . . . . 0.0 110.535 177.862 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.18 -43.26 99.22 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.278 0.945 . . . . 0.0 111.758 177.731 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -19.17 65.2 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.017 1.727 . . . . 0.0 113.116 178.32 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.78 -45.21 0.66 Allowed Glycine 0 N--CA 1.475 1.285 0 CA-C-N 119.454 1.025 . . . . 0.0 115.234 179.7 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 m -117.27 -9.82 10.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.726 2.01 . . . . 0.0 115.635 -178.149 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.206 0 CA-C-N 119.748 1.158 . . . . 0.0 112.802 -178.253 . . . . . . . . 0 0 . 1 . 091 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 091 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -47.79 -50.51 25.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.858 1.663 . . . . 0.0 112.625 -177.594 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.3 p -84.02 -41.78 16.87 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.505 0.722 . . . . 0.0 112.494 177.673 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -63.24 -48.89 76.31 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.144 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.41 -57.12 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.204 0.911 . . . . 0.0 112.88 177.435 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.95 -40.06 94.43 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.753 0.821 . . . . 0.0 112.003 -179.738 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.15 -42.25 97.03 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 123.956 0.789 . . . . 0.0 112.077 176.263 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.39 -43.03 91.93 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 117.004 -1.474 . . . . 0.0 109.008 177.131 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.44 -39.21 70.01 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.154 0.909 . . . . 0.0 109.466 177.253 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -63.92 -46.11 86.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.794 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.92 -38.64 91.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.38 -44.46 94.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.983 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.3 -39.38 90.24 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.337 1.055 . . . . 0.0 109.21 177.025 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.58 -39.28 91.44 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.308 -0.87 . . . . 0.0 109.559 177.456 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -62.66 -35.69 80.45 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.655 -1.278 . . . . 0.0 109.025 176.667 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.24 -39.67 91.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.445 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.45 -39.47 94.56 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.38 -1.45 . . . . 0.0 108.399 176.99 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -64.94 -40.74 95.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 0.0 109.224 177.908 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.54 -42.4 95.75 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.026 -1.464 . . . . 0.0 108.348 177.112 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -56.39 -51.47 68.21 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 121.002 1.728 . . . . 0.0 109.394 178.139 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -44.67 88.84 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.971 0.908 . . . . 0.0 111.521 177.421 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -60.91 -37.6 82.84 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.862 0.865 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -68.0 -54.55 17.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.102 1.361 . . . . 0.0 108.686 177.26 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.6 m -51.72 -36.64 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.629 1.972 . . . . 0.0 113.757 177.192 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.52 -36.07 6.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.111 -1.383 . . . . 0.0 115.653 -178.652 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -133.98 -49.01 0.8 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.259 1.529 . . . . 0.0 114.724 -177.154 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.102 0 N-CA-C 116.316 1.286 . . . . 0.0 116.316 -177.164 . . . . . . . . 0 0 . 1 . 092 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 . . . . . . . . . 0 0 . 1 . 092 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -50.9 -30.5 14.84 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.356 1.863 . . . . 0.0 113.743 -178.288 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.4 p -111.43 -35.42 5.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.024 1.329 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.82 -44.69 72.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.662 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.23 -43.96 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.443 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.31 -47.78 84.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 110.976 177.007 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.15 98.22 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-O 118.44 -1.2 . . . . 0.0 113.159 177.575 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -66.15 -43.75 86.12 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.146 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.8 tp -58.97 -46.24 88.57 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.327 0.651 . . . . 0.0 109.279 177.185 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -58.84 -46.06 88.59 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.843 -1.16 . . . . 0.0 110.591 177.591 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -58.58 -55.23 37.79 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.416 1.086 . . . . 0.0 111.06 178.065 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 32.8 mm-40 -61.0 -41.15 95.98 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.317 -0.865 . . . . 0.0 111.45 179.179 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.7 -36.88 84.89 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.916 -1.115 . . . . 0.0 109.635 178.344 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -67.76 -34.24 76.42 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.368 -1.457 . . . . 0.0 108.96 178.262 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 86.3 mttt -64.74 -42.84 94.88 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.967 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.62 -41.28 90.07 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.717 178.428 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.2 -40.38 89.89 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.072 1.305 . . . . 0.0 109.304 178.106 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -68.08 -41.29 82.11 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.743 1.217 . . . . 0.0 109.85 177.85 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -61.07 -36.23 79.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.233 1.013 . . . . 0.0 109.598 178.702 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.349 0.977 . . . . 0.0 108.944 178.309 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.79 91.21 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 119.67 1.123 . . . . 0.0 108.875 177.033 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.8 m -64.72 -35.14 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.068 0.855 . . . . 0.0 109.322 -179.759 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.49 -45.82 82.13 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.622 -1.299 . . . . 0.0 110.608 177.92 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -58.21 -39.4 78.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.524 1.13 . . . . 0.0 112.17 178.51 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -24.75 20.44 Favored Glycine 0 N--CA 1.468 0.819 0 N-CA-C 116.989 1.556 . . . . 0.0 116.989 -178.35 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -136.77 -47.87 0.61 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -177.228 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 C-N-CA 126.664 2.078 . . . . 0.0 117.582 -177.602 . . . . . . . . 0 0 . 1 . 093 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 0 0 . 1 . 093 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -52.93 -34.39 55.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.605 1.562 . . . . 0.0 113.266 -178.435 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 p -102.49 -33.07 9.65 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.197 0.999 . . . . 0.0 113.077 176.803 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.94 -42.29 97.36 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.198 -178.229 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.32 -58.53 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.503 1.047 . . . . 0.0 110.902 178.208 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.11 -42.84 91.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.574 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.41 -48.65 74.26 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.199 0.904 . . . . 0.0 111.356 177.744 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.35 -46.37 86.9 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.06 177.172 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.05 -45.3 75.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.055 0.843 . . . . 0.0 112.143 177.329 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.19 -40.4 93.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.3 1.04 . . . . 0.0 111.154 177.328 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -65.43 -45.66 82.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.549 0.74 . . . . 0.0 109.662 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 51.1 mm-40 -64.26 -35.87 82.24 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.443 -0.786 . . . . 0.0 110.181 176.982 . . . . . . . . 2 2 . 1 . 093 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.23 -40.19 90.09 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.865 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -66.04 -39.86 90.51 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 92.8 mttt -56.15 -40.81 74.41 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.893 0.877 . . . . 0.0 110.353 176.445 . . . . . . . . 2 2 . 1 . 093 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.1 mt -55.76 -39.39 71.15 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.933 0.788 . . . . 0.0 110.009 179.577 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -63.36 -45.56 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.856 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -40.37 97.06 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 111.176 177.619 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.1 m-30 -62.85 -47.07 84.99 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.162 0.985 . . . . 0.0 110.245 176.0 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.26 -43.92 92.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.573 1.549 . . . . 0.0 111.063 177.61 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.39 81.53 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -61.41 -40.13 93.3 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 111.94 177.533 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -64.03 -49.48 72.22 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.452 1.101 . . . . 0.0 111.857 176.017 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.8 m -63.42 -40.19 96.52 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.501 1.12 . . . . 0.0 111.626 178.865 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.63 -13.06 68.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 -178.001 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -156.84 -42.93 0.07 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.878 1.839 . . . . 0.0 115.128 -179.131 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.512 0 C-N-CA 124.718 1.151 . . . . 0.0 115.584 -177.473 . . . . . . . . 0 0 . 1 . 094 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 . . . . . . . . . 0 0 . 1 . 094 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -43.04 -46.52 5.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.448 1.899 . . . . 0.0 114.701 -178.113 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -81.98 -43.59 17.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.784 0.802 . . . . 0.0 112.082 177.931 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -55.19 -57.76 10.44 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -178.056 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -44.62 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 120.184 1.356 . . . . 0.0 114.239 -178.301 . . . . . . . . 2 2 . 1 . 094 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.84 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.933 1.242 . . . . 0.0 110.071 177.321 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.91 98.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 177.273 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -62.83 -46.71 86.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.151 -0.928 . . . . 0.0 108.829 177.148 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.08 -44.26 78.8 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.03 0.832 . . . . 0.0 109.922 177.566 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.62 -47.13 85.4 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.963 0.801 . . . . 0.0 110.184 177.371 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.15 -36.38 79.57 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 179.618 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 40.1 mm-40 -66.94 -40.94 87.68 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.238 1.381 . . . . 0.0 108.389 176.872 . . . . . . . . 2 2 . 1 . 094 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 120.22 -1.55 . . . . 0.0 108.991 176.327 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.38 -39.5 92.33 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 177.475 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 86.9 mttt -61.92 -39.84 93.43 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.965 -1.084 . . . . 0.0 109.824 175.46 . . . . . . . . 2 2 . 1 . 094 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.7 -40.46 88.01 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.135 0.88 . . . . 0.0 109.694 175.771 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.41 -40.28 96.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.018 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -65.01 -37.6 88.16 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.759 1.224 . . . . 0.0 110.84 176.346 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -66.05 -46.73 76.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.779 1.231 . . . . 0.0 108.606 177.353 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.28 -47.61 83.1 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.358 0.981 . . . . 0.0 110.038 178.29 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.29 48.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.758 0.823 . . . . 0.0 110.456 177.52 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -57.52 -36.63 71.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.349 1.06 . . . . 0.0 112.181 178.002 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -68.15 -46.56 70.44 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.425 -0.797 . . . . 0.0 111.357 177.054 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.8 m -61.06 -34.21 74.54 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.894 1.678 . . . . 0.0 112.189 178.858 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.18 -16.34 25.56 Favored Glycine 0 CA--C 1.541 1.669 0 N-CA-C 117.012 1.565 . . . . 0.0 117.012 -178.972 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -152.96 -36.34 0.11 Allowed 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -178.155 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.55 0 CA-C-O 117.848 -1.529 . . . . 0.0 115.645 -177.527 . . . . . . . . 0 0 . 1 . 095 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 095 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -39.34 -64.42 0.47 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.001 2.12 . . . . 0.0 115.497 -177.203 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.4 p -74.62 -25.57 59.32 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.209 -0.932 . . . . 0.0 111.691 -179.198 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.86 -43.25 84.07 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.613 -1.305 . . . . 0.0 109.717 178.18 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.06 -53.82 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.436 1.495 . . . . 0.0 109.097 177.286 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 tp -56.39 -46.79 79.94 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.664 0.786 . . . . 0.0 111.846 178.748 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.69 -49.62 75.56 Favored Glycine 0 CA--C 1.544 1.876 0 C-N-CA 124.577 1.084 . . . . 0.0 110.402 179.27 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.19 -42.35 99.33 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.086 177.163 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.07 -48.97 72.79 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.762 1.619 . . . . 0.0 109.84 177.29 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -64.75 -46.84 80.5 Favored 'General case' 0 C--O 1.245 0.86 0 O-C-N 121.422 -0.799 . . . . 0.0 109.742 179.536 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -62.35 -45.49 92.94 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 119.831 -1.793 . . . . 0.0 111.645 -179.595 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.98 -34.3 77.78 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 -179.465 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.7 -38.7 87.27 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 119.679 -1.888 . . . . 0.0 108.833 176.761 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.49 -41.54 96.4 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.126 177.013 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.51 -40.76 97.89 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 120.798 -1.189 . . . . 0.0 108.946 177.471 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.21 -45.51 83.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.818 0.847 . . . . 0.0 108.748 177.059 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.35 -37.38 85.43 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.694 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -66.1 -41.41 90.66 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.346 1.058 . . . . 0.0 111.377 177.633 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.57 -41.55 92.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.392 1.451 . . . . 0.0 108.584 176.616 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.45 -39.96 92.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.011 0.924 . . . . 0.0 110.083 177.164 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.35 82.13 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.974 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.4 m -59.51 -40.67 87.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.883 1.673 . . . . 0.0 109.326 177.159 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -68.54 -43.27 77.05 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.892 -1.13 . . . . 0.0 110.353 177.918 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.1 m -65.26 -34.81 79.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.31 1.444 . . . . 0.0 114.383 177.5 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.62 -14.52 37.37 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.92 1.528 . . . . 0.0 116.92 179.425 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 m -144.27 -49.76 0.28 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.14 1.47 . . . . 0.0 114.222 -177.877 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.315 0 C-N-CA 124.848 1.213 . . . . 0.0 115.351 -175.944 . . . . . . . . 0 0 . 1 . 096 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 . . . . . . . . . 0 0 . 1 . 096 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -50.38 -49.02 55.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.792 1.237 . . . . 0.0 112.248 -175.149 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -82.46 -36.64 26.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 177.223 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.51 -49.09 70.25 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.83 -1.169 . . . . 0.0 112.47 -178.409 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.05 -49.16 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 120.855 -1.153 . . . . 0.0 110.353 177.537 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tp -54.92 -52.6 62.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.486 1.114 . . . . 0.0 111.222 177.381 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.86 -48.55 84.88 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.68 1.609 . . . . 0.0 112.093 178.068 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.71 -47.06 86.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.495 1.147 . . . . 0.0 110.913 177.305 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.65 -50.16 70.97 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.615 1.098 . . . . 0.0 109.512 177.272 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.1 -42.39 98.43 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 120.821 -1.175 . . . . 0.0 110.507 178.288 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -63.72 -45.7 88.76 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 120.687 -1.258 . . . . 0.0 110.8 177.121 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 33.9 mm-40 -61.38 -37.07 82.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 121.601 2.001 . . . . 0.0 107.925 177.981 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.43 -35.25 78.87 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.161 -0.962 . . . . 0.0 108.407 178.591 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -68.09 -37.49 81.26 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.874 0.87 . . . . 0.0 109.112 177.355 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.4 mttt -63.48 -46.37 86.49 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.322 -1.486 . . . . 0.0 107.201 176.234 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.81 -43.85 85.99 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.968 1.307 . . . . 0.0 109.705 176.966 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.74 -39.04 92.86 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.137 0.975 . . . . 0.0 109.268 177.13 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.0 m -65.61 -42.61 91.4 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.148 1.379 . . . . 0.0 109.615 177.205 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -64.96 -41.83 95.13 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 120.988 -1.07 . . . . 0.0 108.986 178.11 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.97 -42.3 99.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.588 1.155 . . . . 0.0 110.446 178.091 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.33 -49.35 74.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.064 0.946 . . . . 0.0 108.935 177.586 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.5 m -57.46 -43.14 83.75 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.101 1.36 . . . . 0.0 110.723 177.141 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.21 -39.89 89.94 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.316 -0.865 . . . . 0.0 111.787 177.21 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -70.69 -33.99 71.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.31 1.044 . . . . 0.0 113.122 178.124 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 -23.45 31.3 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 115.679 1.031 . . . . 0.0 115.679 179.493 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 m -147.84 -39.87 0.18 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.276 1.538 . . . . 0.0 115.063 -177.483 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.793 0 CA-C-N 120.162 1.346 . . . . 0.0 115.485 -178.428 . . . . . . . . 0 0 . 1 . 097 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 117.942 -1.027 . . . . 0.0 112.782 . . . . . . . . . 0 0 . 1 . 097 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -35.45 -61.54 0.44 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.047 1.739 . . . . 0.0 115.682 -177.055 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.6 p -64.71 -45.91 84.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.947 -0.471 . . . . 0.0 111.664 179.989 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.0 t -58.83 -38.05 77.81 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.959 1.304 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.66 -52.92 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.608 1.563 . . . . 0.0 110.123 177.233 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.63 -45.16 89.85 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.167 0.587 . . . . 0.0 111.716 178.041 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.59 -52.66 51.76 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.347 1.451 . . . . 0.0 111.916 175.786 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.585 1.192 . . . . 0.0 111.028 177.176 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.29 -47.7 80.79 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.578 1.081 . . . . 0.0 110.437 177.981 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -62.72 -44.58 95.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.059 -0.972 . . . . 0.0 111.877 176.813 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.86 -45.71 81.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.734 1.152 . . . . 0.0 111.429 -179.629 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 43.4 mm-40 -61.62 -40.17 93.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.944 . . . . . . . . 2 2 . 1 . 097 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.29 -34.79 78.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.706 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -62.94 -35.42 80.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.995 1.718 . . . . 0.0 110.124 178.187 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 92.5 mttt -64.07 -43.0 96.77 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.496 . . . . . . . . 2 2 . 1 . 097 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.03 -46.66 83.43 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 119.278 0.944 . . . . 0.0 109.933 176.887 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -57.0 -34.61 68.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.595 1.558 . . . . 0.0 111.503 177.47 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -66.96 -49.34 65.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.151 0.981 . . . . 0.0 108.715 178.034 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -63.36 -37.58 87.82 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.652 -0.655 . . . . 0.0 111.442 177.118 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.25 -51.64 62.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.73 1.212 . . . . 0.0 110.272 176.986 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.86 74.85 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.128 0.876 . . . . 0.0 110.204 177.626 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.7 m -62.14 -38.83 90.45 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.528 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.63 -40.92 80.12 Favored 'General case' 0 CA--C 1.553 1.062 0 O-C-N 121.042 -1.036 . . . . 0.0 109.551 177.899 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -61.09 -50.88 71.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.497 1.519 . . . . 0.0 111.272 178.695 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.04 -15.79 71.48 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 -177.098 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -139.34 -53.72 0.56 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.363 -1.669 . . . . 0.0 112.463 -176.637 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.138 0 C-N-CA 125.221 1.391 . . . . 0.0 116.221 -177.494 . . . . . . . . 0 0 . 1 . 098 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 . . . . . . . . . 0 0 . 1 . 098 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -47.32 -63.17 1.12 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.342 1.457 . . . . 0.0 114.165 -179.935 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -63.43 -41.75 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.363 0.529 . . . . 0.0 111.55 -178.89 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.16 -46.66 89.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.876 1.271 . . . . 0.0 112.489 -178.299 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.06 -51.08 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 117.951 -1.024 . . . . 0.0 111.132 177.466 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.66 -50.79 71.03 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 111.977 178.415 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.3 -48.01 65.97 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.91 0.767 . . . . 0.0 112.416 177.587 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.13 -44.5 95.41 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 117.76 0.78 . . . . 0.0 111.29 177.088 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.85 -50.8 71.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.42 0.688 . . . . 0.0 110.807 177.482 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -62.5 -34.91 77.82 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.517 177.318 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.89 -49.22 68.83 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.421 1.009 . . . . 0.0 110.918 177.496 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 25.3 mm-40 -62.5 -38.3 89.37 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.891 -1.131 . . . . 0.0 110.423 176.505 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.24 -39.52 86.99 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.979 -1.076 . . . . 0.0 110.4 175.897 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.29 -37.47 87.62 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.91 1.284 . . . . 0.0 109.508 178.814 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 87.9 mttt -63.99 -45.63 88.16 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 176.618 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.32 -37.86 73.18 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.625 0.77 . . . . 0.0 109.667 177.438 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -63.82 -39.18 93.62 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.754 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.8 m -65.04 -42.53 94.22 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.626 0.771 . . . . 0.0 110.233 177.169 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -64.02 -41.65 97.37 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 121.043 -1.036 . . . . 0.0 111.756 176.74 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.47 -50.4 69.86 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.419 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.11 72.65 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.311 1.044 . . . . 0.0 111.36 176.788 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.3 m -60.45 -40.77 92.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.035 1.334 . . . . 0.0 109.998 176.144 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -68.95 -53.81 18.8 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.362 0.665 . . . . 0.0 111.607 176.592 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -61.21 -44.63 96.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.712 -1.242 . . . . 0.0 113.063 -178.413 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.51 -10.92 67.1 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.397 1.475 . . . . 0.0 116.629 -177.451 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -144.16 -40.97 0.27 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.78 1.79 . . . . 0.0 114.013 178.355 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.206 0 C-N-CA 123.506 0.574 . . . . 0.0 114.415 178.93 . . . . . . . . 0 0 . 1 . 099 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 . . . . . . . . . 0 0 . 1 . 099 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -41.48 -70.53 0.1 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 129.703 3.201 . . . . 0.0 115.449 -176.543 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.7 p -75.74 -21.97 56.97 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 177.752 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -68.97 -44.88 72.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.66 0.784 . . . . 0.0 110.771 178.02 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.26 -50.72 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 117.523 -1.227 . . . . 0.0 110.042 177.496 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.52 -47.64 78.93 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.003 0.82 . . . . 0.0 111.228 177.439 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.08 -51.52 49.67 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 124.151 0.882 . . . . 0.0 111.364 177.131 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.02 -45.1 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.846 177.208 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.98 -54.87 37.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.191 0.996 . . . . 0.0 111.396 177.929 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.0 m -63.86 -39.47 94.27 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.564 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -67.67 -48.23 67.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.137 0.88 . . . . 0.0 112.917 178.635 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.79 -42.07 99.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.402 1.001 . . . . 0.0 110.683 177.049 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -62.13 -44.49 96.52 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.77 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.41 -40.52 96.78 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.706 -1.247 . . . . 0.0 110.18 179.975 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -59.18 -48.32 82.06 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.888 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.26 -44.19 92.42 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.88 177.154 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -58.59 -42.32 87.8 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.169 0.988 . . . . 0.0 110.273 176.432 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -67.84 -37.72 82.26 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.862 0.865 . . . . 0.0 109.103 -176.994 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -67.74 -43.74 79.2 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.812 -1.18 . . . . 0.0 107.922 177.727 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.02 -42.4 94.26 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.276 1.43 . . . . 0.0 111.311 177.575 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -43.56 78.67 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.622 1.101 . . . . 0.0 110.612 177.733 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -66.97 -39.24 87.16 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.907 0.883 . . . . 0.0 110.25 177.404 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.35 -49.19 76.56 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.153 0.981 . . . . 0.0 110.722 177.587 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -69.36 -38.97 78.32 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.711 -0.618 . . . . 0.0 111.121 -179.227 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.9 -27.4 50.36 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 116.521 1.369 . . . . 0.0 116.521 -177.427 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 m -135.72 -39.01 0.72 Allowed 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.189 1.495 . . . . 0.0 113.904 -178.401 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.383 0 N-CA-C 117.054 1.581 . . . . 0.0 117.054 -177.793 . . . . . . . . 0 0 . 1 . 100 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 100 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -41.16 -68.25 0.2 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.137 2.175 . . . . 0.0 116.114 -177.461 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.253 24.9 p -73.52 -19.24 60.96 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.157 1.344 . . . . 0.0 113.328 -179.539 . . . . . . . . 2 2 . 1 . 100 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.76 -43.08 69.55 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.323 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.06 -51.95 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.314 1.445 . . . . 0.0 108.591 177.079 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 mt -56.22 -45.61 79.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.486 1.039 . . . . 0.0 112.793 177.704 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.3 -47.69 88.1 Favored Glycine 0 N--CA 1.472 1.054 0 CA-C-N 119.347 0.976 . . . . 0.0 112.382 177.443 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.66 -44.21 87.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.04 -0.682 . . . . 0.0 110.131 177.518 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.5 -44.28 84.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.27 1.428 . . . . 0.0 109.459 177.027 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.7 m -60.98 -39.67 90.5 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 117.439 -1.267 . . . . 0.0 109.352 179.805 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.06 -48.48 73.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.077 1.308 . . . . 0.0 109.718 176.899 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 41.8 mm-40 -65.31 -37.28 86.65 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.556 -1.34 . . . . 0.0 109.874 -179.364 . . . . . . . . 2 2 . 1 . 100 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.04 -42.11 85.39 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 124.604 1.162 . . . . 0.0 108.366 177.534 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -63.52 -36.83 85.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.977 1.311 . . . . 0.0 109.438 177.444 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 88.7 mttt -65.19 -50.33 66.34 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.146 . . . . . . . . 2 2 . 1 . 100 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -56.67 -46.17 81.27 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.817 1.247 . . . . 0.0 111.045 177.026 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.53 -44.14 97.08 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.083 -0.96 . . . . 0.0 109.484 177.276 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 m -66.09 -38.01 87.18 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.717 1.207 . . . . 0.0 110.425 178.408 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.517 1.053 . . . . 0.0 108.182 178.421 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 mt -58.26 -54.52 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.188 1.395 . . . . 0.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.75 -46.68 70.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.606 1.162 . . . . 0.0 111.571 178.53 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -64.35 -37.11 86.36 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.337 -1.477 . . . . 0.0 111.129 177.671 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -64.07 -45.75 87.39 Favored 'General case' 0 C--O 1.242 0.671 0 O-C-N 120.377 -1.452 . . . . 0.0 110.931 176.26 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -66.47 -44.47 82.65 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.122 -1.611 . . . . 0.0 114.422 176.916 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.74 -25.41 38.52 Favored Glycine 0 CA--C 1.542 1.726 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 -177.67 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -125.72 -47.6 1.68 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.345 1.073 . . . . 0.0 112.147 -179.274 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.089 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 -176.827 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -66.56 -38.44 87.08 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -152.43 174.36 13.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.198 0.999 . . . . 0.0 110.863 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.21 -41.96 85.2 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.69 -49.7 76.72 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.127 1.371 . . . . 0.0 112.132 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.8 p -65.56 -32.5 74.12 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.223 -0.923 . . . . 0.0 111.278 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -44.73 86.35 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.927 0.785 . . . . 0.0 109.047 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.02 -47.29 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.898 0.879 . . . . 0.0 109.151 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.12 -36.49 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.313 1.045 . . . . 0.0 112.275 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.51 57.68 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 125.561 1.553 . . . . 0.0 109.924 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.83 -48.09 82.54 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.882 -1.364 . . . . 0.0 109.325 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.42 -34.17 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.022 0.828 . . . . 0.0 111.343 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 m -61.63 -40.97 96.75 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.612 -1.305 . . . . 0.0 109.546 175.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -70.61 -39.87 73.5 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.71 -39.17 93.19 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 120.475 1.489 . . . . 0.0 108.555 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.43 -43.85 84.55 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.511 1.524 . . . . 0.0 106.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -59.71 -45.25 92.71 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.68 1.127 . . . . 0.0 111.38 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.328 2.7 pp -63.51 -35.51 80.7 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.09 1.314 . . . . 0.0 111.813 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.59 -43.96 88.09 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.924 -1.11 . . . . 0.0 108.984 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -59.29 -45.16 92.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.77 1.628 . . . . 0.0 109.539 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.21 -49.58 76.58 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.846 0.859 . . . . 0.0 111.04 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.88 -51.69 68.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.801 0.841 . . . . 0.0 111.245 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.31 94.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 112.82 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 m -65.27 -45.85 82.85 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.033 -1.042 . . . . 0.0 110.764 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.61 -39.1 93.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.816 0.846 . . . . 0.0 112.379 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -74.48 -44.24 52.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.673 0.789 . . . . 0.0 111.762 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.14 -28.28 60.59 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 115.786 1.075 . . . . 0.0 115.786 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -148.52 -36.58 0.19 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.21 -19.62 59.68 Favored Glycine 0 CA--C 1.548 2.096 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -176.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.1 p -119.0 -42.48 0.05 OUTLIER Pre-proline 0 CA--C 1.554 1.13 0 CA-C-O 116.928 -1.51 . . . . 0.0 113.853 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -84.38 -2.98 10.08 Favored 'Trans proline' 0 CA--C 1.562 1.913 0 CA-C-N 122.627 1.974 . . . . 0.0 112.574 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.211 0 O-C-N 119.695 -1.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 118.722 -0.656 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -70.89 -33.83 70.97 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -156.73 175.68 13.74 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.688 1.195 . . . . 0.0 111.793 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.0 tp -52.6 -52.55 54.79 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.987 1.315 . . . . 0.0 112.158 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -60.08 -43.17 95.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.761 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -65.46 -30.03 70.76 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.543 1.519 . . . . 0.0 111.755 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -41.71 77.67 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.32 -42.62 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.79 -29.09 70.05 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.032 0.933 . . . . 0.0 109.256 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.17 26.28 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.31 -48.07 79.9 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.273 1.037 . . . . 0.0 109.357 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -58.59 -43.28 89.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.684 1.194 . . . . 0.0 110.524 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.2 m -61.15 -41.61 97.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 118.86 -0.59 . . . . 0.0 110.567 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.47 -40.41 81.02 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 118.625 -0.702 . . . . 0.0 110.515 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.13 -37.6 87.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 119.38 0.991 . . . . 0.0 109.323 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.67 -41.25 88.43 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.721 1.209 . . . . 0.0 109.277 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -62.34 -47.37 84.51 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.058 0.943 . . . . 0.0 110.14 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -54.21 -48.33 71.14 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.63 1.105 . . . . 0.0 110.898 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.29 4.3 pp -67.7 -34.63 77.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.654 -0.688 . . . . 0.0 111.637 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.43 -38.08 89.77 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.942 1.246 . . . . 0.0 108.996 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 m -64.14 -44.69 91.4 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.98 -41.96 84.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 117.513 -1.232 . . . . 0.0 111.238 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.96 -43.9 97.88 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 110.637 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.03 -48.5 81.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.671 0.788 . . . . 0.0 111.459 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -61.65 -44.98 95.96 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.518 -1.364 . . . . 0.0 110.723 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -63.29 -42.43 99.06 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.089 0.955 . . . . 0.0 112.775 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -74.49 -35.1 63.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.191 0.996 . . . . 0.0 112.83 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.11 -27.55 30.73 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -144.77 -34.0 0.37 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.56 -28.46 67.69 Favored Glycine 0 CA--C 1.539 1.565 0 CA-C-O 118.098 -1.39 . . . . 0.0 112.546 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.7 p -113.06 -43.57 0.08 OUTLIER Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 125.237 1.415 . . . . 0.0 111.931 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -77.54 11.14 2.26 Favored 'Trans proline' 0 CA--C 1.565 2.05 0 C-N-CA 123.897 3.064 . . . . 0.0 114.561 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 119.924 1.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.484 1.238 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -69.63 -29.65 67.19 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -156.73 179.71 9.02 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.866 1.266 . . . . 0.0 110.861 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.81 -49.92 71.91 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.777 0.831 . . . . 0.0 111.989 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -60.06 -44.2 94.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.215 1.806 . . . . 0.0 112.828 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -66.04 -25.58 67.11 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.008 1.276 . . . . 0.0 110.66 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -34.31 74.68 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.932 1.242 . . . . 0.0 107.938 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.5 t -70.15 -40.5 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.386 -1.446 . . . . 0.0 107.498 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.65 -36.42 76.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.3 -40.76 91.96 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 127.111 2.291 . . . . 0.0 109.48 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.85 -51.93 65.09 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.426 1.613 . . . . 0.0 107.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.42 -38.98 72.3 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.994 0.815 . . . . 0.0 111.165 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -67.41 -35.11 78.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.616 1.167 . . . . 0.0 110.048 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -71.18 -40.96 70.94 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 18.2 mm-40 -64.93 -35.3 80.71 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.132 1.333 . . . . 0.0 107.84 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -65.56 -45.0 85.03 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -60.99 -40.7 94.48 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.588 1.155 . . . . 0.0 109.341 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 89.8 mttt -62.55 -50.17 72.38 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.811 -1.181 . . . . 0.0 109.141 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.341 2.3 pp -63.73 -31.93 73.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.313 0.96 . . . . 0.0 110.935 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.27 -41.15 85.99 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.8 m -68.43 -40.36 81.22 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.07 0.85 . . . . 0.0 109.527 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.22 -51.19 70.33 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.1 -52.34 65.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.575 1.15 . . . . 0.0 112.171 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.19 94.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.158 1.383 . . . . 0.0 113.294 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.8 m -62.79 -44.8 95.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.318 1.047 . . . . 0.0 109.655 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -63.21 -55.09 27.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.241 1.416 . . . . 0.0 111.386 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.7 p -66.0 -30.19 70.69 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.552 1.069 . . . . 0.0 111.72 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.69 -23.53 55.75 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 118.643 -1.087 . . . . 0.0 114.314 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -161.18 -43.34 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.03 -43.18 8.51 Favored Glycine 0 N--CA 1.475 1.27 0 C-N-CA 125.797 1.665 . . . . 0.0 117.114 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.21 -47.01 0.18 Allowed Pre-proline 0 N--CA 1.48 1.047 0 CA-C-O 116.558 -1.686 . . . . 0.0 113.49 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -58.12 -24.01 64.24 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.956 2.437 . . . . 0.0 114.72 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.15 0 CA-C-N 120.098 1.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 117.662 -1.161 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -85.59 -29.48 24.08 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -158.36 179.18 9.38 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.36 1.464 . . . . 0.0 111.237 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.1 tp -49.95 -57.89 6.58 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.096 1.359 . . . . 0.0 112.931 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 m -59.47 -44.6 92.99 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.884 0.874 . . . . 0.0 112.477 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.3 p -66.8 -26.62 67.03 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.61 1.095 . . . . 0.0 110.779 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -35.78 67.94 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.456 1.026 . . . . 0.0 108.433 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.56 -40.13 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.95 -30.71 71.77 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.34 -47.33 80.69 Favored Glycine 0 C--N 1.346 1.126 0 C-N-CA 125.403 1.478 . . . . 0.0 109.994 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.12 -48.03 83.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.911 0.885 . . . . 0.0 108.725 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.26 -39.3 82.41 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.712 0.805 . . . . 0.0 110.806 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -64.68 -39.02 92.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.537 0.735 . . . . 0.0 109.235 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.87 -40.66 83.58 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.189 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 3.5 mm-40 -62.85 -36.41 83.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.172 1.351 . . . . 0.0 109.437 177.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.05 -43.0 79.66 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -64.86 -34.37 78.22 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.498 -0.751 . . . . 0.0 110.474 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 88.8 mttt -63.3 -50.43 70.11 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.229 -1.544 . . . . 0.0 107.455 177.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 2.6 pp -64.25 -35.35 80.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.179 0.9 . . . . 0.0 111.321 177.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.24 -35.08 79.67 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.871 1.214 . . . . 0.0 108.993 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 m -66.27 -47.02 75.05 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -60.36 -39.98 89.12 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 111.393 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -64.48 -40.71 96.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.13 0.972 . . . . 0.0 110.021 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.34 94.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.009 0.924 . . . . 0.0 109.135 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.0 m -62.2 -48.64 79.1 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.512 -0.742 . . . . 0.0 109.804 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.45 -39.72 80.63 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.042 1.337 . . . . 0.0 112.794 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.6 p -78.56 -43.07 27.51 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -27.52 48.09 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -145.34 -27.21 0.46 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.5 -55.53 14.79 Favored Glycine 0 CA--C 1.536 1.366 0 CA-C-N 119.655 1.116 . . . . 0.0 114.177 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.6 p -75.44 -39.46 3.07 Favored Pre-proline 0 N--CA 1.48 1.039 0 CA-C-O 116.622 -1.656 . . . . 0.0 114.75 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -63.84 -14.54 43.69 Favored 'Trans proline' 0 CA--C 1.552 1.418 0 C-N-CA 123.053 2.502 . . . . 0.0 116.115 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.237 0 CA-C-N 120.307 1.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 117.51 -1.233 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -86.03 -38.97 17.31 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -146.42 174.45 11.37 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.326 1.45 . . . . 0.0 109.928 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.69 -45.42 85.68 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.104 -0.997 . . . . 0.0 112.586 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -60.72 -47.34 86.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.615 1.166 . . . . 0.0 111.251 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.6 p -67.09 -27.91 67.74 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.562 1.528 . . . . 0.0 110.196 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -38.83 74.6 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.28 -40.53 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.51 -36.86 81.7 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.651 1.569 . . . . 0.0 108.655 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.4 92.14 Favored Glycine 0 CA--C 1.547 2.038 0 N-CA-C 108.069 -2.012 . . . . 0.0 108.069 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -63.08 -42.16 99.58 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.969 1.385 . . . . 0.0 108.858 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.29 -33.34 75.6 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.012 1.278 . . . . 0.0 109.228 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.5 m -69.74 -36.44 75.85 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.09 -38.58 79.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.177 1.391 . . . . 0.0 108.451 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.68 -35.97 81.4 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.993 1.27 . . . . 0.0 108.931 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 tp -67.3 -45.2 77.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.9 1.28 . . . . 0.0 108.351 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -65.29 -39.28 92.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.188 0.995 . . . . 0.0 110.886 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -59.23 -56.05 27.04 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.091 1.756 . . . . 0.0 108.366 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.308 3.6 pp -60.64 -37.13 80.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.92 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.95 -32.85 74.37 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.112 1.323 . . . . 0.0 108.685 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -70.33 -42.17 72.25 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.462 1.505 . . . . 0.0 108.172 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.18 -40.99 97.28 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.446 -0.783 . . . . 0.0 109.002 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.84 -43.03 99.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.647 1.179 . . . . 0.0 109.623 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.18 86.21 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.236 0.925 . . . . 0.0 110.68 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 m -67.37 -39.07 85.64 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.848 0.859 . . . . 0.0 109.276 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -43.49 81.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.048 1.739 . . . . 0.0 113.094 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.5 p -73.37 -35.14 65.9 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.71 1.141 . . . . 0.0 111.237 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.85 -33.91 35.88 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 120.8 -1.187 . . . . 0.0 115.523 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.4 p -145.06 -40.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.13 -40.14 28.24 Favored Glycine 0 N--CA 1.482 1.725 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -103.44 -42.14 0.19 Allowed Pre-proline 0 N--CA 1.475 0.823 0 CA-C-O 117.018 -1.468 . . . . 0.0 114.412 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -79.23 2.94 7.89 Favored 'Trans proline' 0 CA--C 1.561 1.833 0 CA-C-N 123.259 2.2 . . . . 0.0 114.899 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.457 0 CA-C-N 120.844 1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 117.979 -1.01 . . . . 0.0 108.558 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -107.11 -44.41 4.38 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -136.48 176.3 8.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.105 1.362 . . . . 0.0 108.601 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.4 tp -59.22 -44.24 92.31 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.238 -0.914 . . . . 0.0 111.753 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -56.06 -51.45 67.79 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.037 1.335 . . . . 0.0 112.113 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -65.86 -30.01 70.55 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.599 1.09 . . . . 0.0 110.879 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -39.12 75.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.165 0.893 . . . . 0.0 110.394 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.56 -53.74 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.038 1.335 . . . . 0.0 107.784 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.4 -35.25 69.79 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.352 0.978 . . . . 0.0 110.95 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.47 70.65 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.834 1.683 . . . . 0.0 109.455 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.82 -41.18 97.92 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.295 1.048 . . . . 0.0 110.165 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.42 -42.07 98.16 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.371 0.987 . . . . 0.0 108.349 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -65.01 -35.26 80.62 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.925 1.29 . . . . 0.0 111.017 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.81 -50.97 53.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.078 1.351 . . . . 0.0 108.481 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.44 -32.94 74.53 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.525 1.057 . . . . 0.0 110.169 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.17 -42.56 93.56 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.418 1.087 . . . . 0.0 108.151 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.09 -39.4 89.97 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.159 -0.963 . . . . 0.0 109.834 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.78 -52.52 62.88 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.689 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -61.23 -35.82 78.26 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.408 1.458 . . . . 0.0 111.172 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.17 -35.43 80.77 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.23 1.377 . . . . 0.0 109.076 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.04 -41.68 73.91 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.441 1.496 . . . . 0.0 110.209 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.2 -43.64 97.59 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.84 -41.02 99.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 108.096 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.651 1.18 . . . . 0.0 108.971 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -68.81 -45.11 72.09 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.635 0.774 . . . . 0.0 108.988 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.28 -38.36 83.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.814 1.246 . . . . 0.0 112.415 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 p -82.46 -29.45 30.61 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.105 0.962 . . . . 0.0 113.447 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 -40.62 10.05 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 119.626 1.103 . . . . 0.0 114.75 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -132.44 -37.3 1.08 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.59 -38.69 64.1 Favored Glycine 0 N--CA 1.469 0.856 0 N-CA-C 116.704 1.441 . . . . 0.0 116.704 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.7 p -106.77 -38.51 0.17 Allowed Pre-proline 0 N--CA 1.473 0.687 0 CA-C-O 116.037 -1.935 . . . . 0.0 116.214 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -73.61 -3.32 13.53 Favored 'Trans proline' 0 CA--C 1.559 1.76 0 C-N-CA 123.832 3.021 . . . . 0.0 116.445 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.037 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 p -62.9 -34.97 78.52 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -156.83 174.65 15.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.036 1.334 . . . . 0.0 110.456 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.46 -48.75 78.33 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.856 -1.153 . . . . 0.0 112.056 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -49.33 73.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.793 1.237 . . . . 0.0 111.396 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -65.6 -29.24 69.81 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.679 1.127 . . . . 0.0 110.892 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -45.33 78.2 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.14 -38.47 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.6 tp -62.68 -35.66 80.4 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.964 0.802 . . . . 0.0 109.15 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.49 67.34 Favored Glycine 0 N--CA 1.466 0.653 0 C-N-CA 125.059 1.314 . . . . 0.0 109.964 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.64 -46.83 87.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.945 1.698 . . . . 0.0 108.618 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -41.92 98.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 109.705 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -62.0 -34.07 75.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.941 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -69.66 -40.74 76.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.213 0.915 . . . . 0.0 109.472 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.84 -37.07 86.38 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.617 1.099 . . . . 0.0 108.215 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.83 -42.98 94.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.689 1.196 . . . . 0.0 109.477 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -61.08 -41.06 95.93 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.704 1.602 . . . . 0.0 110.0 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.4 -55.12 34.96 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.221 1.008 . . . . 0.0 109.174 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.31 3.3 pp -63.95 -30.99 72.03 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -64.94 -38.72 91.91 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.809 1.186 . . . . 0.0 108.913 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -63.08 -45.19 93.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.533 1.133 . . . . 0.0 109.779 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -62.69 -42.62 99.73 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.624 -0.672 . . . . 0.0 110.436 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.86 -46.49 89.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.633 1.173 . . . . 0.0 110.485 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.52 93.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.083 0.953 . . . . 0.0 111.466 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -64.25 -42.18 96.62 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.535 -0.728 . . . . 0.0 109.767 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.13 -43.44 98.38 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.389 -0.82 . . . . 0.0 112.821 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -78.01 -16.56 57.99 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.557 1.072 . . . . 0.0 113.814 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.85 -46.78 4.71 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.334 1.445 . . . . 0.0 113.925 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.3 p -131.54 -30.23 1.69 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.17 -64.76 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.226 0.917 . . . . 0.0 114.792 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.4 p -75.39 -40.39 3.43 Favored Pre-proline 0 N--CA 1.472 0.66 0 CA-C-O 116.512 -1.708 . . . . 0.0 115.409 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -73.19 -7.73 20.98 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 CA-C-N 122.863 2.058 . . . . 0.0 115.019 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 119.862 1.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -78.29 -30.32 48.36 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -158.85 178.47 10.06 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.826 1.25 . . . . 0.0 111.51 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.2 tp -53.09 -56.68 14.35 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.466 1.106 . . . . 0.0 111.865 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -58.28 -44.24 88.38 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.584 1.153 . . . . 0.0 113.014 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.3 p -65.39 -35.17 80.13 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.26 0.936 . . . . 0.0 110.061 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -35.49 76.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.751 -1.218 . . . . 0.0 109.936 177.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.24 -46.65 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.2 -37.34 79.97 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 0.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -45.13 88.82 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.35 -42.26 98.91 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.228 1.514 . . . . 0.0 110.554 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.08 -45.03 94.27 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.183 0.993 . . . . 0.0 108.495 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 m -63.07 -37.59 87.81 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.46 1.104 . . . . 0.0 111.406 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.64 -45.01 65.96 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 117.604 -1.189 . . . . 0.0 110.951 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -61.08 -37.52 82.97 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 121.437 1.926 . . . . 0.0 108.795 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.84 -49.72 71.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.58 -39.56 84.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.085 -1.635 . . . . 0.0 111.076 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.79 -54.05 47.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.764 0.826 . . . . 0.0 110.002 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.1 pp -64.5 -33.7 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.59 1.086 . . . . 0.0 113.02 177.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.68 -38.39 87.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.726 0.81 . . . . 0.0 110.57 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -52.91 -51.76 60.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.745 1.218 . . . . 0.0 111.441 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.89 -37.87 85.2 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.53 -35.38 80.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.758 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.2 98.16 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 123.735 0.814 . . . . 0.0 108.871 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -66.01 -43.69 86.95 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.137 -0.977 . . . . 0.0 108.552 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -56.12 -68.94 0.16 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.398 -1.439 . . . . 0.0 112.25 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -75.37 -3.62 34.65 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 117.917 -1.04 . . . . 0.0 113.567 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.16 -23.51 14.61 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.565 1.079 . . . . 0.0 113.224 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -160.2 -41.09 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.51 -55.41 7.99 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 127.091 2.282 . . . . 0.0 116.306 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.25 -43.94 0.35 Allowed Pre-proline 0 N--CA 1.469 0.5 0 CA-C-O 116.68 -1.629 . . . . 0.0 112.729 176.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.28 -11.07 30.84 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 123.416 2.744 . . . . 0.0 113.832 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.328 0 O-C-N 118.272 -2.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 p -71.67 -28.78 63.96 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -162.27 178.03 9.08 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 120.209 -1.557 . . . . 0.0 110.291 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.15 -54.13 40.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.527 1.531 . . . . 0.0 111.845 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -59.57 -47.22 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.763 1.225 . . . . 0.0 112.895 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -63.56 -32.21 73.61 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.668 1.122 . . . . 0.0 111.601 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -46.29 81.07 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.3 -46.97 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.735 -0.603 . . . . 0.0 111.41 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.79 -39.88 82.39 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.578 1.151 . . . . 0.0 108.884 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.18 -48.84 29.66 Favored Glycine 0 CA--C 1.555 2.557 0 N-CA-C 108.23 -1.948 . . . . 0.0 108.23 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.11 -44.21 97.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.62 1.21 . . . . 0.0 110.709 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.84 -39.34 93.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.654 1.116 . . . . 0.0 108.986 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -62.31 -36.75 83.14 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 119.865 1.212 . . . . 0.0 108.975 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.88 -44.52 80.67 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 72.5 mm-40 -62.31 -39.79 94.18 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 120.688 -1.257 . . . . 0.0 108.397 177.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.51 -41.53 98.52 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -62.61 -35.52 79.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.673 1.189 . . . . 0.0 109.212 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.9 mttt -60.69 -54.05 50.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.104 -0.998 . . . . 0.0 109.66 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.257 4.4 pp -68.03 -32.42 72.77 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.198 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -61.47 -38.4 87.12 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.15 1.341 . . . . 0.0 110.21 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -61.75 -48.07 82.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.246 0.619 . . . . 0.0 109.431 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.93 -37.59 87.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.79 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.3 -41.32 96.91 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.5 96.02 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 119.599 1.09 . . . . 0.0 110.338 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.7 m -66.15 -45.13 82.05 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -55.3 -58.05 9.31 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.313 2.245 . . . . 0.0 113.525 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 p -78.03 -27.1 48.72 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.16 -25.03 41.74 Favored Glycine 0 CA--C 1.548 2.095 0 CA-C-O 118.796 -1.002 . . . . 0.0 115.101 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -145.84 -36.99 0.26 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.87 -23.28 69.16 Favored Glycine 0 N--CA 1.478 1.443 0 CA-C-O 117.571 -1.683 . . . . 0.0 115.421 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -108.66 -43.37 0.11 Allowed Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 115.762 -2.066 . . . . 0.0 113.814 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -64.69 -27.32 60.53 Favored 'Trans proline' 0 C--N 1.355 0.92 0 CA-C-N 123.764 2.38 . . . . 0.0 113.435 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.736 0 CA-C-N 120.839 1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -80.78 -31.46 35.79 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -160.28 178.66 9.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.169 1.387 . . . . 0.0 111.313 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.3 tp -49.24 -56.96 7.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.875 1.27 . . . . 0.0 112.401 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -58.29 -47.66 82.93 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.101 1.36 . . . . 0.0 112.331 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 p -65.01 -35.06 79.98 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 119.343 0.974 . . . . 0.0 110.024 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -38.37 79.24 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.12 -50.09 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.98 -37.83 69.59 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.474 1.11 . . . . 0.0 111.259 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -49.03 64.46 Favored Glycine 0 CA--C 1.543 1.827 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.61 -40.48 97.08 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.595 -0.944 . . . . 0.0 110.421 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.38 -40.17 93.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.304 -0.873 . . . . 0.0 108.932 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 m -61.81 -37.5 84.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.624 0.769 . . . . 0.0 110.429 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -70.13 -46.45 64.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.309 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 47.5 mm-40 -61.31 -36.58 80.49 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.634 1.106 . . . . 0.0 110.989 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -44.98 90.19 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.876 1.271 . . . . 0.0 108.715 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -58.74 -36.32 74.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.232 1.013 . . . . 0.0 111.795 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 95.2 mttt -58.9 -53.18 61.25 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.139 -1.601 . . . . 0.0 109.376 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.333 3.2 pp -67.09 -30.08 70.01 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -65.48 -39.1 91.54 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 119.621 -1.924 . . . . 0.0 107.765 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -65.35 -48.11 74.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.143 1.377 . . . . 0.0 109.173 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -61.15 -36.29 79.37 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.124 -0.985 . . . . 0.0 111.225 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.56 -38.56 91.43 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 119.348 0.976 . . . . 0.0 110.66 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.68 94.78 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -62.01 -48.85 78.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.193 -0.942 . . . . 0.0 109.547 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -56.7 -43.7 80.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.348 1.459 . . . . 0.0 113.708 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -78.36 -34.31 48.44 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.798 1.239 . . . . 0.0 113.574 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.58 -24.41 28.38 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -146.4 -33.51 0.31 Allowed 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.664 1.732 . . . . 0.0 115.472 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.94 -20.87 62.84 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-O 118.602 -1.11 . . . . 0.0 115.183 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.8 p -117.49 -39.63 0.06 OUTLIER Pre-proline 0 CA--C 1.547 0.856 0 CA-C-O 116.42 -1.753 . . . . 0.0 113.714 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -61.96 -12.2 24.9 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 123.193 2.595 . . . . 0.0 116.625 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 O-C-N 120.215 -1.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 p -73.09 -33.2 65.47 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -155.0 177.36 11.41 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.667 1.187 . . . . 0.0 111.208 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -54.33 -51.61 64.16 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.692 1.197 . . . . 0.0 112.278 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -58.14 -48.82 79.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.366 1.066 . . . . 0.0 112.265 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -65.56 -31.92 73.23 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.681 -1.262 . . . . 0.0 111.656 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -42.31 81.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.262 0.937 . . . . 0.0 108.667 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.61 -43.22 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 116.955 -1.498 . . . . 0.0 108.455 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.15 -36.94 76.15 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.581 1.537 . . . . 0.0 110.757 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -47.39 84.46 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -63.36 -42.26 98.88 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.67 0.788 . . . . 0.0 110.002 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.46 -37.83 88.8 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.182 0.901 . . . . 0.0 108.801 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -66.06 -36.19 82.55 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.422 1.089 . . . . 0.0 110.079 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.38 -50.88 62.02 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.154 0.982 . . . . 0.0 108.429 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 59.3 mm-40 -60.71 -37.39 81.52 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.047 -1.033 . . . . 0.0 110.553 177.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.88 -44.94 88.03 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -59.49 -37.52 78.46 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.326 1.05 . . . . 0.0 110.413 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 94.8 mttt -63.21 -54.37 38.53 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.944 -1.097 . . . . 0.0 108.115 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.348 4.1 pp -64.14 -30.45 71.51 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.748 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.16 -40.78 96.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.815 1.189 . . . . 0.0 107.994 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -63.23 -43.68 97.39 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.15 1.38 . . . . 0.0 109.524 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -65.9 -38.77 89.6 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.541 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.9 -38.04 85.51 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 120.217 1.371 . . . . 0.0 109.321 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.71 89.06 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -63.42 -45.12 92.45 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.096 0.958 . . . . 0.0 109.234 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.53 -43.03 99.61 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.296 1.438 . . . . 0.0 112.749 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -77.93 -36.45 49.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.863 0.865 . . . . 0.0 112.709 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.34 52.04 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 117.157 1.623 . . . . 0.0 117.157 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.0 p -145.84 -42.08 0.21 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.48 -46.3 92.11 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.595 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.8 p -89.32 -43.69 0.43 Allowed Pre-proline 0 N--CA 1.481 1.089 0 CA-C-O 115.557 -2.163 . . . . 0.0 113.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -67.01 -3.98 10.66 Favored 'Trans proline' 0 CA--C 1.551 1.361 0 C-N-CA 123.397 2.731 . . . . 0.0 114.178 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.033 0 CA-C-N 120.815 1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -83.29 -38.31 22.31 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -177.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -154.45 179.92 8.56 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.129 1.331 . . . . 0.0 111.506 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.6 tp -50.55 -58.15 6.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.715 1.606 . . . . 0.0 111.344 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -57.15 -48.42 78.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.362 1.465 . . . . 0.0 113.015 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.099 1.318 . . . . 0.0 111.955 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.07 80.49 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.236 -0.915 . . . . 0.0 109.356 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.48 -51.8 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.902 1.281 . . . . 0.0 109.881 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.53 -36.16 71.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.239 1.015 . . . . 0.0 110.614 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.28 67.12 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -61.34 -47.95 83.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 117.642 0.721 . . . . 0.0 110.265 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.98 -40.67 81.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.846 0.858 . . . . 0.0 110.721 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.2 m -62.35 -40.69 97.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.348 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.78 -41.44 87.68 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.382 0.992 . . . . 0.0 110.072 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.09 -39.05 91.14 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.302 -0.874 . . . . 0.0 109.351 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.27 -39.54 86.06 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -60.2 -32.25 70.91 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.789 1.235 . . . . 0.0 110.271 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.81 -57.26 11.52 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.299 1.0 OUTLIER -65.64 -30.64 71.38 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.803 0.729 . . . . 0.0 110.657 179.804 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -65.09 -38.81 91.93 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.9 m -65.93 -44.39 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.074 1.35 . . . . 0.0 108.348 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -61.17 -41.34 96.6 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 119.093 0.861 . . . . 0.0 109.012 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.56 -34.65 78.74 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.518 1.127 . . . . 0.0 109.754 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.08 90.15 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.659 1.183 . . . . 0.0 108.27 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -62.33 -48.23 80.74 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.55 -36.9 81.92 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -86.38 -28.39 23.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.752 -1.217 . . . . 0.0 113.941 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -12.56 52.13 Favored Glycine 0 CA--C 1.544 1.863 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -149.56 -42.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.19 -44.72 88.89 Favored Glycine 0 C--N 1.342 0.895 0 C-N-CA 124.203 0.906 . . . . 0.0 115.062 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.301 8.9 p -95.83 -55.29 0.21 Allowed Pre-proline 0 N--CA 1.473 0.716 0 CA-C-O 116.045 -1.931 . . . . 0.0 114.816 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -65.32 -11.32 29.66 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 CA-C-N 123.893 2.426 . . . . 0.0 116.779 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 120.515 -1.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p -68.78 -31.65 70.82 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -159.6 177.88 10.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.55 1.54 . . . . 0.0 110.923 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.39 -45.97 80.35 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.4 -0.812 . . . . 0.0 112.869 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -57.17 -51.92 67.38 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.288 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -62.3 -30.27 71.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.101 1.318 . . . . 0.0 112.441 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -46.77 72.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.491 0.587 . . . . 0.0 110.575 176.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.86 -50.22 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.676 1.19 . . . . 0.0 109.803 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.3 mt -56.96 -52.58 64.65 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.705 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.96 -50.6 50.3 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.742 1.163 . . . . 0.0 113.319 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.05 -47.47 85.74 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.851 0.825 . . . . 0.0 110.958 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.16 -38.86 92.85 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.701 0.682 . . . . 0.0 110.127 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -64.54 -34.38 78.1 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.361 -1.304 . . . . 0.0 108.029 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -70.01 -41.21 74.61 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.494 -1.241 . . . . 0.0 108.823 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.68 -39.04 90.87 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.48 -40.46 95.73 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.919 0.887 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -64.74 -43.14 94.31 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.167 1.387 . . . . 0.0 110.315 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.59 -49.45 77.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.396 1.078 . . . . 0.0 108.736 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.335 4.4 pp -64.26 -30.98 72.01 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.173 0.897 . . . . 0.0 111.104 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.85 -37.87 85.29 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -62.37 -42.65 99.58 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -65.16 -43.69 90.96 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.066 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.17 -45.53 92.79 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.858 1.208 . . . . 0.0 109.877 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.03 96.67 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.709 1.204 . . . . 0.0 109.283 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -61.91 -43.14 99.46 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.89 -48.75 79.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.263 1.825 . . . . 0.0 113.25 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -74.38 -35.94 63.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.66 -21.61 55.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.954 1.141 . . . . 0.0 115.954 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.1 p -150.31 -41.52 0.13 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.7 -36.51 86.5 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.44 1.495 . . . . 0.0 114.865 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.3 p -100.33 -42.41 0.22 Allowed Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 115.661 -2.114 . . . . 0.0 113.371 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.84 -21.81 73.01 Favored 'Trans proline' 0 CA--C 1.559 1.761 0 C-N-CA 122.438 2.092 . . . . 0.0 115.353 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 117.933 -1.032 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 p -64.2 -44.35 92.22 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -150.33 179.32 8.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.723 1.209 . . . . 0.0 111.864 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.81 -47.85 79.32 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.573 0.749 . . . . 0.0 112.119 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -60.28 -47.76 84.63 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.324 1.05 . . . . 0.0 111.56 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -64.14 -32.4 73.95 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.243 1.383 . . . . 0.0 110.259 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -42.04 83.99 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.93 -45.39 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.275 1.03 . . . . 0.0 108.659 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.07 -43.63 91.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.954 1.252 . . . . 0.0 109.388 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -44.14 98.14 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.0 -40.28 94.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.85 0.86 . . . . 0.0 110.388 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.63 -47.79 84.65 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -62.7 -33.34 74.88 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.007 0.923 . . . . 0.0 111.031 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -69.15 -52.5 27.48 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.808 1.185 . . . . 0.0 108.351 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.32 -34.88 77.47 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.428 1.013 . . . . 0.0 110.711 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.66 -46.34 90.16 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 125.412 1.485 . . . . 0.0 108.58 176.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -63.46 -42.5 98.63 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.131 0.878 . . . . 0.0 110.349 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.78 -50.09 73.36 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.103 -0.998 . . . . 0.0 110.159 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 4.4 pp -70.06 -28.49 65.48 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.181 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -62.89 -42.25 99.71 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.422 1.489 . . . . 0.0 107.448 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -63.49 -43.64 96.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -62.03 -44.37 96.86 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.512 1.051 . . . . 0.0 111.921 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.48 -47.73 83.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.869 1.268 . . . . 0.0 109.921 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.62 91.04 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.105 0.962 . . . . 0.0 111.172 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -62.59 -48.58 78.82 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.185 0.994 . . . . 0.0 110.358 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -54.67 -37.97 66.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.134 0.974 . . . . 0.0 113.574 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -87.05 -39.73 15.35 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.71 -32.44 41.21 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -140.22 -19.87 0.87 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.42 -64.96 3.04 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.239 1.399 . . . . 0.0 113.341 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.9 p -71.61 -37.16 5.12 Favored Pre-proline 0 N--CA 1.48 1.033 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -67.29 -9.8 26.45 Favored 'Trans proline' 0 CA--C 1.552 1.411 0 C-N-CA 122.716 2.278 . . . . 0.0 115.382 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.307 0 CA-C-N 120.183 1.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -71.24 -43.28 67.59 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -150.84 175.08 12.35 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.904 1.281 . . . . 0.0 110.873 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.7 -44.56 90.34 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.534 -0.729 . . . . 0.0 112.034 -177.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -58.61 -49.28 78.07 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.752 0.821 . . . . 0.0 112.17 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -63.72 -34.83 78.75 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.204 0.911 . . . . 0.0 110.238 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -40.61 87.66 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.75 -49.02 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.24 -41.63 84.57 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 119.362 0.983 . . . . 0.0 110.0 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -51.13 55.24 Favored Glycine 0 CA--C 1.545 1.915 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.4 -50.92 71.96 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.759 0.824 . . . . 0.0 109.938 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.49 -46.64 66.68 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.534 1.061 . . . . 0.0 110.289 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 m -60.94 -48.33 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.856 0.862 . . . . 0.0 111.963 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.52 -49.9 74.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 10.4 mm-40 -63.12 -35.56 80.67 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.577 1.081 . . . . 0.0 110.842 178.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.37 -36.07 80.62 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.062 -1.024 . . . . 0.0 108.309 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.83 -41.82 82.42 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.112 -0.993 . . . . 0.0 109.501 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 87.1 mttt -59.42 -47.55 85.03 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.74 -1.225 . . . . 0.0 108.253 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.314 4.0 pp -65.26 -29.34 70.12 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 117.619 -1.181 . . . . 0.0 110.717 177.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -65.07 -44.13 89.95 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 120.655 1.57 . . . . 0.0 107.662 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -62.34 -37.85 87.22 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -47.09 86.07 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 125.438 1.495 . . . . 0.0 109.048 176.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.14 -45.6 92.48 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 125.073 1.349 . . . . 0.0 110.887 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.29 89.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.78 -1.2 . . . . 0.0 112.309 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -65.86 -40.54 91.76 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.047 -1.033 . . . . 0.0 110.311 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -61.85 -55.54 28.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.433 1.893 . . . . 0.0 111.139 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.0 p -65.71 -37.8 87.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 117.5 -1.238 . . . . 0.0 113.451 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.24 -27.58 30.28 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -143.2 -36.53 0.37 Allowed 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.32 -53.16 48.02 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-N 120.269 1.395 . . . . 0.0 113.09 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 m -76.63 -51.78 2.3 Favored Pre-proline 0 CA--C 1.557 1.223 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.467 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -70.26 4.19 2.56 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 123.969 3.113 . . . . 0.0 117.305 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 O-C-N 119.003 -2.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 107.229 -1.396 . . . . 0.0 107.229 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -61.34 -45.33 94.86 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -150.16 173.53 13.81 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.64 0.733 . . . . 0.0 111.651 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.0 tp -49.08 -50.95 34.39 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.808 1.643 . . . . 0.0 113.218 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -59.88 -49.99 75.53 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 p -60.58 -38.5 84.82 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 119.58 1.082 . . . . 0.0 111.913 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -41.02 99.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.559 0.618 . . . . 0.0 110.94 177.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.17 -48.38 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.043 0.937 . . . . 0.0 111.377 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.48 -42.15 86.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.315 1.046 . . . . 0.0 112.642 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.84 -51.81 56.7 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.18 -52.39 65.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.934 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -52.62 -43.24 65.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.115 0.566 . . . . 0.0 112.179 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.79 -47.33 81.32 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 118.654 -0.689 . . . . 0.0 112.29 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.48 -39.41 77.7 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 117.666 -1.159 . . . . 0.0 111.776 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 7.3 mm-40 -62.54 -40.17 95.95 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.894 1.679 . . . . 0.0 108.362 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tp -68.5 -30.56 69.42 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -74.64 -38.47 62.48 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 89.0 mttt -58.41 -51.29 70.45 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.068 -1.645 . . . . 0.0 107.764 -179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.273 3.3 pp -62.01 -29.42 70.26 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.929 0.768 . . . . 0.0 112.458 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.19 -37.95 81.47 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -67.41 -45.29 76.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.732 1.213 . . . . 0.0 108.603 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -60.06 -42.6 94.86 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.12 -55.31 30.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.542 1.537 . . . . 0.0 108.447 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.33 -42.72 78.14 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.315 1.446 . . . . 0.0 111.889 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -64.31 -39.45 93.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.444 -0.785 . . . . 0.0 110.503 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -69.0 -56.06 8.93 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.733 -1.229 . . . . 0.0 112.807 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -63.3 -28.89 70.32 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.3 -12.11 49.74 Favored Glycine 0 N--CA 1.479 1.5 0 C-N-CA 125.424 1.487 . . . . 0.0 114.72 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -153.76 -52.33 0.1 Allowed 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 120.35 2.075 . . . . 0.0 115.164 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.06 -25.69 32.43 Favored Glycine 0 CA--C 1.551 2.297 0 C-N-CA 125.761 1.648 . . . . 0.0 116.623 -177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.3 m -112.73 -43.97 0.08 OUTLIER Pre-proline 0 N--CA 1.479 1.019 0 CA-C-O 115.427 -2.225 . . . . 0.0 111.997 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -66.53 -14.99 46.3 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.322 2.681 . . . . 0.0 115.17 175.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 121.397 1.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -90.65 -30.83 16.91 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -157.62 177.66 11.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.883 1.273 . . . . 0.0 110.628 177.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.4 mt -54.12 -54.15 43.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.88 0.872 . . . . 0.0 111.239 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -56.73 -44.04 81.24 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.572 1.149 . . . . 0.0 113.395 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -67.64 -31.71 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.19 1.359 . . . . 0.0 110.649 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -42.68 74.43 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.015 0.825 . . . . 0.0 109.237 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -52.33 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.037 1.335 . . . . 0.0 109.661 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.78 -44.98 86.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.218 1.007 . . . . 0.0 110.66 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.65 -49.18 81.36 Favored Glycine 0 C--N 1.343 0.955 0 C-N-CA 124.141 0.876 . . . . 0.0 111.46 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -62.02 -51.71 66.92 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 117.689 -1.148 . . . . 0.0 109.641 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.22 -37.01 74.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 120.307 1.412 . . . . 0.0 112.192 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.52 -34.63 77.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.128 1.331 . . . . 0.0 108.461 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -69.12 -43.41 74.5 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 16.8 mm-40 -65.25 -32.07 73.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.388 1.449 . . . . 0.0 108.322 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.88 -39.58 94.51 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.273 1.429 . . . . 0.0 108.756 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -70.66 -36.57 73.44 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 124.993 1.317 . . . . 0.0 109.147 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 88.5 mttt -65.1 -47.56 76.78 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 116.938 -1.506 . . . . 0.0 109.319 176.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.312 3.8 pp -63.92 -30.36 71.45 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.195 0.907 . . . . 0.0 110.28 176.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -63.88 -42.18 97.56 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.357 -1.719 . . . . 0.0 106.357 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -70.99 -38.03 72.7 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.764 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -62.31 -40.17 95.44 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.578 1.535 . . . . 0.0 112.224 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.18 -48.8 80.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.509 1.124 . . . . 0.0 110.271 176.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.95 86.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.012 0.925 . . . . 0.0 112.253 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.2 m -67.81 -38.42 83.27 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.018 -1.676 . . . . 0.0 111.541 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -64.76 -51.64 61.21 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 119.664 -1.897 . . . . 0.0 109.929 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 p -62.97 -30.57 71.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -14.51 36.54 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 119.639 1.109 . . . . 0.0 115.202 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 m -145.92 -50.17 0.23 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.26 2.03 . . . . 0.0 113.511 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.97 -62.74 5.94 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.545 1.545 . . . . 0.0 115.012 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.2 m -66.31 -49.51 53.58 Favored Pre-proline 0 N--CA 1.496 1.834 0 CA-C-O 117.269 -1.348 . . . . 0.0 112.494 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.4 -47.4 24.28 Favored 'Trans proline' 0 CA--C 1.567 2.136 0 C-N-CA 122.437 2.091 . . . . 0.0 112.502 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.303 0 CA-C-N 119.357 0.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -59.22 -34.32 72.05 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -157.57 175.5 13.86 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.601 1.16 . . . . 0.0 111.256 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 99.4 mt -57.51 -50.44 73.06 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.527 0.731 . . . . 0.0 112.092 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -58.79 -44.72 90.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.717 0.807 . . . . 0.0 111.855 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -66.42 -30.83 71.28 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.18 1.354 . . . . 0.0 110.561 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -41.0 85.25 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.46 -46.4 96.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.552 1.141 . . . . 0.0 108.968 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.4 -40.99 83.88 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.82 -1.175 . . . . 0.0 110.699 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.1 -51.4 58.66 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.7 -45.47 94.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.719 0.807 . . . . 0.0 111.109 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.53 -43.81 93.36 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.124 1.329 . . . . 0.0 111.065 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.9 -41.16 97.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.078 0.853 . . . . 0.0 110.341 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.55 -48.29 75.6 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.565 1.146 . . . . 0.0 110.116 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.44 -35.47 81.01 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.432 1.469 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.96 -41.77 90.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.658 0.783 . . . . 0.0 109.355 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -68.94 -33.98 74.62 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.314 -0.866 . . . . 0.0 110.03 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -65.02 -53.14 50.69 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.641 -1.287 . . . . 0.0 109.923 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.27 4.2 pp -59.65 -37.38 78.55 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.271 1.396 . . . . 0.0 110.778 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -63.51 -42.59 98.48 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -67.8 -45.79 73.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.682 1.593 . . . . 0.0 110.007 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -55.38 -43.9 75.6 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.291 1.036 . . . . 0.0 110.226 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.15 -43.9 98.16 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.375 0.67 . . . . 0.0 109.484 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -49.37 71.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.051 0.941 . . . . 0.0 111.99 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 m -57.85 -41.01 81.5 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.282 0.946 . . . . 0.0 111.003 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.09 -64.77 0.79 Allowed 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.092 -1.005 . . . . 0.0 111.701 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.5 p -58.54 -33.8 70.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.97 -10.83 68.63 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 116.104 1.202 . . . . 0.0 116.104 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -158.96 -48.06 0.06 Allowed 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.838 1.819 . . . . 0.0 114.817 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.06 -41.45 77.8 Favored Glycine 0 N--CA 1.479 1.502 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.05 -52.88 0.99 Allowed Pre-proline 0 N--CA 1.478 0.966 0 CA-C-N 119.491 1.645 . . . . 0.0 110.01 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -55.23 -28.78 63.57 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 123.834 3.023 . . . . 0.0 115.677 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 120.107 1.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -91.52 -26.84 18.58 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.95 2.574 . . . . 0.0 117.95 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -159.59 178.89 9.38 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.145 1.339 . . . . 0.0 110.822 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 mt -49.29 -60.81 2.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.476 1.111 . . . . 0.0 112.082 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -55.86 -46.7 78.18 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.14 0.976 . . . . 0.0 112.4 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -68.8 -31.4 70.38 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.992 1.269 . . . . 0.0 110.398 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -41.69 75.15 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.246 1.385 . . . . 0.0 109.445 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.04 -44.81 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.0 -41.34 87.42 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.235 0.925 . . . . 0.0 110.827 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.74 -38.99 94.7 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -71.74 -44.21 64.49 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 125.055 1.342 . . . . 0.0 108.166 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.25 -42.22 81.09 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 119.951 -1.718 . . . . 0.0 109.078 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.803 1.183 . . . . 0.0 111.175 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.16 -49.3 72.64 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.49 -41.03 93.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.476 -0.765 . . . . 0.0 110.718 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.11 -28.97 69.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.454 1.501 . . . . 0.0 111.537 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -86.48 -40.16 15.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.671 0.788 . . . . 0.0 110.293 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -55.81 -51.63 66.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.095 1.758 . . . . 0.0 110.566 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.254 3.3 pp -60.03 -29.77 68.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.14 -0.975 . . . . 0.0 113.109 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.27 -35.86 71.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -66.5 -42.37 87.47 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.02 -34.88 77.03 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.753 0.706 . . . . 0.0 111.102 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.33 -38.6 91.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.495 1.118 . . . . 0.0 109.245 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.2 96.45 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.788 0.722 . . . . 0.0 109.589 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -67.01 -44.06 81.29 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.123 -0.985 . . . . 0.0 110.326 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.46 -42.69 88.01 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.347 1.859 . . . . 0.0 112.757 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 p -84.12 -31.07 25.44 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.542 1.537 . . . . 0.0 113.903 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.51 -8.78 57.18 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -157.0 -28.03 0.09 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 120.698 2.249 . . . . 0.0 115.244 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.65 -70.02 1.27 Allowed Glycine 0 CA--C 1.538 1.527 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.5 p -71.67 -38.95 6.79 Favored Pre-proline 0 N--CA 1.482 1.135 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -60.72 -32.21 92.82 Favored 'Trans proline' 0 CA--C 1.579 2.775 0 C-N-CA 122.604 2.203 . . . . 0.0 112.958 174.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.161 0 CA-C-N 120.517 1.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -53.43 -53.29 53.46 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -148.36 176.09 10.56 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.969 0.908 . . . . 0.0 111.961 -178.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.99 -44.97 87.48 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.722 -0.656 . . . . 0.0 112.363 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 -49.48 77.63 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.402 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.9 p -63.01 -37.44 87.2 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.405 1.002 . . . . 0.0 111.512 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -41.29 96.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.121 0.873 . . . . 0.0 109.955 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.2 t -64.1 -47.89 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.51 1.524 . . . . 0.0 108.89 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.33 -36.85 76.43 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.136 0.88 . . . . 0.0 110.055 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.72 79.17 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.106 1.336 . . . . 0.0 110.123 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -64.14 -41.42 97.2 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.261 -1.141 . . . . 0.0 110.711 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.61 -42.99 99.65 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 119.558 1.072 . . . . 0.0 108.517 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 m -62.93 -37.69 88.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.125 0.97 . . . . 0.0 110.469 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.51 -51.19 61.79 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 117.873 -1.06 . . . . 0.0 109.283 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.25 -38.22 82.81 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.469 1.486 . . . . 0.0 110.687 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 mt -65.2 -40.98 94.91 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.265 1.026 . . . . 0.0 110.139 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.94 -32.7 65.45 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.822 -1.174 . . . . 0.0 109.9 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.9 -48.26 79.73 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 117.016 -1.468 . . . . 0.0 108.093 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.306 4.6 pp -61.62 -35.12 76.98 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.337 1.426 . . . . 0.0 111.202 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.57 -38.04 89.64 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.217 1.371 . . . . 0.0 107.875 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 m -66.54 -43.31 85.51 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.753 1.221 . . . . 0.0 110.508 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -57.96 -46.06 85.69 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.574 1.079 . . . . 0.0 110.671 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.39 -40.15 93.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 110.376 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.9 73.15 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 119.532 1.06 . . . . 0.0 108.867 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.2 m -58.56 -40.31 82.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.672 -1.267 . . . . 0.0 109.56 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -67.64 -58.01 5.42 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 119.291 -2.131 . . . . 0.0 109.753 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.1 p -66.36 -13.27 60.35 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.89 -19.53 9.04 Favored Glycine 0 N--CA 1.481 1.675 0 C-N-CA 125.752 1.644 . . . . 0.0 114.63 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -146.91 -47.39 0.18 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.77 1.285 . . . . 0.0 113.723 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.73 -34.57 50.82 Favored Glycine 0 CA--C 1.546 1.993 0 C-N-CA 125.953 1.74 . . . . 0.0 115.561 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.7 p -115.95 -36.24 0.08 OUTLIER Pre-proline 0 CA--C 1.555 1.154 0 CA-C-O 115.141 -2.361 . . . . 0.0 115.353 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.35 0.41 6.84 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 123.111 2.54 . . . . 0.0 116.059 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 121.001 1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -67.68 -33.31 74.67 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -177.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -157.2 175.84 13.51 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.644 1.178 . . . . 0.0 111.719 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt -54.59 -49.92 69.26 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.905 0.882 . . . . 0.0 111.711 178.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 m -60.25 -46.54 89.43 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.993 179.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.8 p -61.4 -32.79 72.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.067 1.758 . . . . 0.0 111.171 177.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -41.22 70.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.314 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.81 -44.75 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 124.755 1.222 . . . . 0.0 108.565 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.55 -44.98 96.06 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.4 94.05 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.097 0.856 . . . . 0.0 111.088 177.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.19 -45.27 94.1 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.472 1.109 . . . . 0.0 111.466 176.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.08 -41.45 98.19 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.43 -0.793 . . . . 0.0 109.142 177.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -36.85 84.45 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.552 176.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -66.79 -47.0 73.48 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.069 1.348 . . . . 0.0 108.483 177.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.45 -37.97 87.94 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.661 1.119 . . . . 0.0 109.358 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.62 -42.58 95.4 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.07 -38.06 89.7 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.17 0.988 . . . . 0.0 111.374 177.201 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -61.4 -53.65 53.85 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.653 1.181 . . . . 0.0 109.12 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 4.0 pp -64.59 -33.54 76.17 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.073 177.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -64.81 -34.29 78.0 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.728 1.603 . . . . 0.0 109.307 176.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -68.58 -50.43 51.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.622 1.569 . . . . 0.0 107.687 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -57.34 -41.45 80.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.538 0.735 . . . . 0.0 110.757 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.42 -39.96 92.68 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 110.898 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.9 71.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 109.01 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 m -58.44 -40.37 82.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.77 0.828 . . . . 0.0 110.893 177.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.27 -64.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.133 1.773 . . . . 0.0 110.113 178.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -61.88 -23.91 66.6 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.375 1.47 . . . . 0.0 114.578 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.67 -20.39 22.08 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 119.463 1.029 . . . . 0.0 114.583 178.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 m -146.48 -49.06 0.2 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.5 1.65 . . . . 0.0 114.802 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -31.48 60.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.034 1.778 . . . . 0.0 116.5 -175.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 p -113.13 -37.03 0.1 Allowed Pre-proline 0 N--CA 1.479 1.001 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 177.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.96 -12.51 15.49 Favored 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 123.585 2.857 . . . . 0.0 117.2 176.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.449 0 CA-C-N 120.471 1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -70.28 -28.17 65.0 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -176.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -158.0 175.72 13.45 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.437 1.495 . . . . 0.0 110.139 176.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.7 -35.3 77.63 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.931 -1.106 . . . . 0.0 113.311 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -63.24 -48.81 76.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.307 1.412 . . . . 0.0 110.187 176.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -64.42 -27.28 68.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.523 1.056 . . . . 0.0 110.404 177.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.73 68.2 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.661 1.119 . . . . 0.0 110.367 177.196 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.1 -45.01 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.95 -34.0 76.99 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.857 -0.592 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.48 92.07 Favored Glycine 0 N--CA 1.474 1.217 0 C-N-CA 125.006 1.289 . . . . 0.0 111.462 175.103 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.99 -42.72 90.68 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.755 1.222 . . . . 0.0 108.224 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 mt -66.04 -47.9 72.83 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -57.31 -33.39 67.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.416 1.086 . . . . 0.0 112.232 177.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.58 -52.04 62.73 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.169 0.988 . . . . 0.0 109.6 176.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.76 -38.04 89.0 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 118.765 0.711 . . . . 0.0 111.413 177.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -65.48 -47.24 76.75 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 0.0 110.732 177.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -63.32 -36.09 82.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.029 0.831 . . . . 0.0 110.954 177.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -61.64 -55.64 28.4 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 118.045 -0.979 . . . . 0.0 108.409 177.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.302 3.9 pp -60.77 -35.0 75.32 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.429 1.013 . . . . 0.0 112.581 177.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.52 -42.77 98.45 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.861 1.21 . . . . 0.0 108.916 177.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -65.95 -42.27 90.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.413 1.485 . . . . 0.0 110.712 177.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.13 97.79 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.916 0.886 . . . . 0.0 110.184 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.0 -42.54 98.65 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.624 0.77 . . . . 0.0 110.438 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.79 90.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.793 0.837 . . . . 0.0 110.339 177.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.1 m -62.5 -40.34 96.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.229 1.012 . . . . 0.0 111.069 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.26 -48.41 70.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 0.0 112.863 177.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 p -66.7 -19.33 65.74 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.77 -28.4 7.02 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 118.703 -1.054 . . . . 0.0 114.466 178.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -142.16 -48.48 0.36 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.43 -42.92 26.91 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.99 1.281 . . . . 0.0 116.231 -176.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -101.88 -51.14 0.16 Allowed Pre-proline 0 N--CA 1.474 0.76 0 CA-C-O 117.185 -1.388 . . . . 0.0 111.68 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -72.96 4.11 3.95 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.695 2.93 . . . . 0.0 115.561 178.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 O-C-N 120.03 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -55.79 -33.48 64.42 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -157.74 172.81 17.83 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.243 1.417 . . . . 0.0 112.027 176.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.83 -45.34 70.84 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 178.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -63.85 -42.73 97.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.764 176.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.4 p -65.54 -29.49 70.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.402 1.91 . . . . 0.0 111.681 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -40.94 89.18 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.616 1.098 . . . . 0.0 109.376 174.424 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.22 -46.6 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.633 1.173 . . . . 0.0 108.071 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -35.73 75.94 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 121.368 -0.833 . . . . 0.0 109.993 177.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.4 -48.43 82.32 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 124.892 1.234 . . . . 0.0 110.636 177.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.41 -48.24 81.31 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 123.908 0.883 . . . . 0.0 109.044 176.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.87 98.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.357 0.981 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -65.02 -32.7 74.56 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.786 1.234 . . . . 0.0 111.146 178.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -65.73 -51.05 62.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.43 1.092 . . . . 0.0 108.457 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.27 -32.38 73.08 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.23 177.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.84 -46.56 71.45 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.042 1.337 . . . . 0.0 108.3 176.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -62.51 -37.71 87.11 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.068 0.849 . . . . 0.0 109.159 177.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.46 -52.32 64.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 117.522 -1.228 . . . . 0.0 107.726 178.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.346 3.9 pp -62.1 -34.55 76.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.114 1.325 . . . . 0.0 111.889 177.545 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.84 -40.64 98.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -67.56 -53.3 29.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.524 1.53 . . . . 0.0 110.17 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -58.46 -28.61 65.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.299 1.04 . . . . 0.0 113.197 177.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.61 -36.52 83.02 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.574 1.534 . . . . 0.0 109.092 177.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.55 69.5 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -63.14 -36.67 84.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -0.938 . . . . 0.0 111.392 176.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -69.12 -53.61 19.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.215 1.806 . . . . 0.0 110.547 178.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.8 p -63.83 -28.65 70.0 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.13 -29.4 11.5 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-O 118.544 -1.142 . . . . 0.0 114.459 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 m -135.72 -51.81 0.74 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.654 1.727 . . . . 0.0 113.902 -177.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.83 -61.31 4.87 Favored Glycine 0 C--N 1.342 0.866 0 C-N-CA 127.971 2.7 . . . . 0.0 115.222 -174.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.8 m -77.3 -49.56 2.28 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 117.203 -1.38 . . . . 0.0 113.76 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.49 -29.11 89.18 Favored 'Trans proline' 0 CA--C 1.549 1.272 0 C-N-CA 122.953 2.435 . . . . 0.0 115.34 179.144 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.653 0 CA-C-N 120.668 1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -84.95 -20.63 30.34 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -177.33 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -164.57 176.48 8.89 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.037 2.135 . . . . 0.0 110.484 176.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.53 -45.46 85.0 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.61 -0.681 . . . . 0.0 111.771 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -59.05 -47.61 84.61 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.684 1.193 . . . . 0.0 112.147 178.061 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 p -65.37 -28.74 69.49 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.419 1.463 . . . . 0.0 111.011 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.25 73.68 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.72 -46.22 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.103 0.961 . . . . 0.0 109.601 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.98 -31.87 71.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.462 0.705 . . . . 0.0 110.791 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.21 81.72 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 176.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.15 -45.52 88.12 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.41 -47.61 81.26 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.083 0.953 . . . . 0.0 110.438 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -59.43 -40.39 86.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.616 1.166 . . . . 0.0 111.832 177.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.92 -51.1 66.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.999 0.92 . . . . 0.0 109.941 177.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 7.0 mm-40 -61.61 -34.15 75.15 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.776 -0.577 . . . . 0.0 112.221 177.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.62 -44.9 89.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.371 0.668 . . . . 0.0 109.246 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -37.19 86.42 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 122.681 0.392 . . . . 0.0 110.555 177.635 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.5 mttt -63.41 -55.05 27.48 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.975 176.862 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.271 3.5 pp -61.56 -33.31 73.64 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.457 1.026 . . . . 0.0 112.74 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.19 -43.74 97.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.572 1.078 . . . . 0.0 109.041 176.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -65.97 -51.85 54.82 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.088 1.355 . . . . 0.0 109.578 178.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -61.6 -29.8 70.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.637 0.775 . . . . 0.0 112.205 178.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.9 -41.89 99.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.647 1.112 . . . . 0.0 108.897 176.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.96 91.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.447 0.699 . . . . 0.0 109.295 177.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -59.08 -46.07 89.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.718 . . . . 0.0 111.02 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.98 -53.36 26.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.807 0.843 . . . . 0.0 111.946 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.1 p -67.24 -17.37 64.78 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.54 -30.5 4.62 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 115.769 1.068 . . . . 0.0 115.769 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -131.62 -46.47 0.97 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -177.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.91 -67.25 2.3 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.931 1.253 . . . . 0.0 114.823 -177.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.0 m -64.32 -49.11 74.1 Favored Pre-proline 0 N--CA 1.482 1.151 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.033 177.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.72 -41.78 74.61 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 122.712 2.274 . . . . 0.0 113.821 178.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.387 0 O-C-N 120.738 -1.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 p -67.07 -33.05 74.67 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -178.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -157.31 172.1 19.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.527 1.531 . . . . 0.0 110.432 178.013 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.2 tp -58.62 -41.47 86.01 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.692 -0.63 . . . . 0.0 112.105 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -58.8 -46.82 86.7 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.766 177.332 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.6 1.545 . . . . 0.0 110.552 177.316 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -46.32 76.68 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.278 0.945 . . . . 0.0 108.541 177.122 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.5 -38.46 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 177.1 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.4 -35.58 77.92 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.9 1.28 . . . . 0.0 108.925 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.59 -46.88 72.77 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 177.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.68 -37.98 89.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.054 1.427 . . . . 0.0 110.141 177.032 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.81 -29.34 67.67 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.971 -1.08 . . . . 0.0 109.247 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m -70.31 -33.71 71.85 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -68.85 -40.5 79.32 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 175.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.6 -35.76 81.56 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 120.288 1.404 . . . . 0.0 110.672 176.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.64 -44.56 77.65 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.775 -1.203 . . . . 0.0 108.153 175.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -63.59 -34.22 77.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 120.516 -1.365 . . . . 0.0 111.301 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.26 -55.61 23.39 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pp -60.91 -34.29 74.45 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.627 1.103 . . . . 0.0 112.226 177.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.4 -43.66 93.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.626 1.557 . . . . 0.0 108.781 177.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -62.43 -47.97 81.73 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.25 1.42 . . . . 0.0 109.562 177.431 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -58.57 -47.2 85.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.643 0.777 . . . . 0.0 110.471 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 mt -58.7 -42.43 88.57 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.515 1.126 . . . . 0.0 111.275 177.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.91 63.25 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.789 0.835 . . . . 0.0 112.061 177.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -64.83 -38.86 92.39 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.472 -0.767 . . . . 0.0 111.743 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -62.57 -57.56 10.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.167 1.387 . . . . 0.0 112.115 178.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -67.03 -24.71 66.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.03 -36.65 4.9 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.613 1.005 . . . . 0.0 115.613 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -124.41 -44.46 2.0 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.571 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.17 -38.05 93.85 Favored Glycine 0 CA--C 1.533 1.181 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 -176.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.6 m -81.61 -53.34 0.73 Allowed Pre-proline 0 N--CA 1.48 1.073 0 CA-C-O 116.993 -1.479 . . . . 0.0 113.414 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.8 -18.51 62.68 Favored 'Trans proline' 0 CA--C 1.549 1.228 0 C-N-CA 122.371 2.047 . . . . 0.0 115.234 178.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.17 0 CA-C-N 119.927 1.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -72.67 -36.25 67.9 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -152.57 175.84 12.34 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.592 1.157 . . . . 0.0 111.545 177.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.7 tp -52.52 -53.91 39.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.253 1.421 . . . . 0.0 112.358 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 m -60.59 -48.5 81.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.253 1.021 . . . . 0.0 112.256 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -62.88 -31.04 72.0 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.02 1.282 . . . . 0.0 112.049 177.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -47.98 78.88 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.803 0.729 . . . . 0.0 109.291 177.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.03 -38.8 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 O-C-N 121.748 -0.595 . . . . 0.0 109.997 177.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.43 -44.12 92.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.737 0.815 . . . . 0.0 111.552 177.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.29 96.84 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 176.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.89 -38.8 89.71 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 121.467 -1.02 . . . . 0.0 109.965 175.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.56 -38.33 89.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -59.87 -36.71 77.45 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.696 1.134 . . . . 0.0 108.731 178.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.2 -44.6 68.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.175 -0.953 . . . . 0.0 109.24 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.86 -35.9 77.78 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.963 -1.086 . . . . 0.0 110.314 177.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.8 -43.27 89.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.72 1.208 . . . . 0.0 109.774 175.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.13 -38.05 87.45 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.221 1.008 . . . . 0.0 110.083 176.316 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.57 -51.27 63.68 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-O 117.254 -1.355 . . . . 0.0 107.687 178.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.294 4.0 pp -63.25 -31.86 73.11 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 120.521 1.509 . . . . 0.0 112.07 177.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.36 -37.87 88.94 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.381 1.446 . . . . 0.0 109.324 176.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -64.72 -45.81 84.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.74 1.616 . . . . 0.0 108.933 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -64.26 -40.87 96.89 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.565 -1.334 . . . . 0.0 111.187 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.74 -46.93 87.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.179 1.392 . . . . 0.0 109.251 177.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.24 94.13 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 124.22 1.008 . . . . 0.0 110.349 177.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -64.48 -47.57 78.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.255 0.622 . . . . 0.0 111.239 177.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.8 -45.9 91.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.065 1.346 . . . . 0.0 111.759 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -68.17 -54.09 20.42 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -26.15 64.36 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.899 1.52 . . . . 0.0 116.899 -177.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -131.25 -39.59 1.16 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.072 1.436 . . . . 0.0 114.702 -177.408 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.79 -39.23 97.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.504 -0.748 . . . . 0.0 114.051 -179.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.0 m -81.06 -52.97 0.81 Allowed Pre-proline 0 N--CA 1.478 0.943 0 CA-C-O 117.467 -1.254 . . . . 0.0 113.51 178.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -71.69 -10.03 25.89 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 123.329 2.686 . . . . 0.0 115.613 178.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 119.625 -1.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 p -70.62 -40.23 73.28 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -177.375 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -151.45 175.01 12.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.594 1.158 . . . . 0.0 110.64 177.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.15 -44.55 87.93 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.628 -0.67 . . . . 0.0 112.104 -179.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -59.61 -46.23 89.59 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.4 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -66.57 -32.79 74.36 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.117 1.326 . . . . 0.0 110.929 176.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -41.87 96.02 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.209 0.913 . . . . 0.0 109.123 176.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.4 -44.64 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.637 1.175 . . . . 0.0 108.894 176.469 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.45 -43.87 84.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.486 1.114 . . . . 0.0 110.118 177.459 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.94 -40.7 95.7 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.72 -40.57 76.16 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.804 176.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.12 -42.31 94.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 118.994 0.815 . . . . 0.0 109.401 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.985 176.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -68.02 -45.21 74.61 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 110.013 177.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -59.83 -39.89 86.63 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.598 1.544 . . . . 0.0 110.477 176.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.06 -43.24 92.9 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.05 -37.87 86.59 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 110.027 177.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.19 -49.86 70.38 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.03 -42.74 85.97 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.558 1.143 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.9 -40.92 97.1 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.76 1.224 . . . . 0.0 110.685 176.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -62.15 -47.56 84.01 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 125.133 1.373 . . . . 0.0 110.404 177.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.39 -45.04 89.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.43 0.692 . . . . 0.0 110.712 177.53 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.67 -42.2 98.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.639 1.176 . . . . 0.0 111.314 177.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.96 91.18 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.491 1.041 . . . . 0.0 109.762 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -61.16 -48.56 81.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.323 0.649 . . . . 0.0 109.74 177.425 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.18 -68.34 0.33 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.849 1.66 . . . . 0.0 111.776 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 p -63.79 -21.25 66.33 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.277 1.431 . . . . 0.0 113.094 -176.136 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.52 -28.71 15.81 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.113 0.863 . . . . 0.0 115.194 177.155 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 m -154.23 -36.57 0.1 Allowed 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.217 -1.755 . . . . 0.0 115.719 177.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.99 -34.06 37.85 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.85 1.214 . . . . 0.0 114.93 -178.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.272 14.0 p -109.88 -43.6 0.1 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-O 117.066 -1.445 . . . . 0.0 110.633 178.648 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -62.0 -12.94 28.46 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 123.458 2.772 . . . . 0.0 114.614 177.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.169 0 CA-C-N 120.567 1.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -72.66 -34.91 67.57 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -176.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -156.98 175.32 14.25 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.322 1.449 . . . . 0.0 110.522 178.785 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.83 -42.26 88.84 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.678 -1.264 . . . . 0.0 112.969 178.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -59.21 -50.1 75.31 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 117.359 -1.305 . . . . 0.0 109.87 177.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -66.53 -26.83 67.33 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.367 1.439 . . . . 0.0 111.346 177.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -44.71 68.08 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.808 1.185 . . . . 0.0 108.299 178.11 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.07 -44.38 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.64 -38.61 78.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.891 0.877 . . . . 0.0 109.74 177.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.29 -40.69 94.79 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 178.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.66 -37.98 88.03 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.806 1.303 . . . . 0.0 108.641 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.73 -39.78 91.48 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.272 -0.892 . . . . 0.0 109.373 175.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.6 m -59.72 -42.34 92.86 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.76 -1.213 . . . . 0.0 108.754 176.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.77 -49.12 74.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.183 1.393 . . . . 0.0 109.171 177.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.35 -40.65 91.46 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.095 1.316 . . . . 0.0 110.575 177.432 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.21 -38.88 86.02 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.423 1.489 . . . . 0.0 110.096 177.202 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -64.42 -42.25 96.15 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.056 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.68 -45.92 87.91 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.02 -45.89 78.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.827 1.251 . . . . 0.0 111.021 177.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.19 -39.5 92.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.596 1.159 . . . . 0.0 109.464 177.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -67.09 -40.73 87.0 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.716 1.207 . . . . 0.0 110.568 177.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -65.47 -44.13 88.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 109.09 177.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.8 -52.95 63.53 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.718 1.607 . . . . 0.0 109.24 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.66 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.281 1.432 . . . . 0.0 111.476 177.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.4 m -57.7 -48.44 79.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 0.0 111.122 178.475 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.94 -54.9 15.17 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.787 -1.196 . . . . 0.0 112.363 -178.056 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.3 p -68.84 -17.9 64.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.19 -22.63 7.41 Favored Glycine 0 N--CA 1.486 2.002 0 C-N-CA 125.151 1.357 . . . . 0.0 114.57 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -141.86 -49.12 0.38 Allowed 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.17 1.485 . . . . 0.0 114.865 -177.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.26 -64.06 4.13 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.994 2.235 . . . . 0.0 118.479 -177.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -49.18 15.71 Favored Pre-proline 0 N--CA 1.493 1.687 0 CA-C-O 116.709 -1.615 . . . . 0.0 113.453 -177.494 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -67.77 13.43 0.18 Allowed 'Trans proline' 0 CA--C 1.555 1.56 0 C-N-CA 124.675 3.583 . . . . 0.0 115.932 178.216 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -75.79 -23.45 55.86 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -177.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -165.89 176.07 8.15 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.281 2.232 . . . . 0.0 110.325 177.064 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.94 -44.9 82.96 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.668 0.787 . . . . 0.0 112.174 178.06 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -56.78 -48.98 76.66 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.885 0.874 . . . . 0.0 111.908 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -67.13 -28.91 68.54 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.19 1.359 . . . . 0.0 111.857 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -48.08 70.25 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 119.251 0.932 . . . . 0.0 109.593 175.511 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.89 -43.26 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 125.193 1.397 . . . . 0.0 108.848 177.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.79 -40.75 93.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.22 1.008 . . . . 0.0 110.472 177.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.85 -45.58 93.85 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 177.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -59.01 -45.77 89.85 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 176.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.91 -38.47 78.99 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.297 1.439 . . . . 0.0 111.521 177.179 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -59.56 -39.66 84.76 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.144 1.338 . . . . 0.0 109.729 177.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.4 -42.48 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.929 0.892 . . . . 0.0 109.929 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.85 -40.57 84.66 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.276 0.944 . . . . 0.0 109.23 177.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.81 -41.87 99.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.055 1.342 . . . . 0.0 108.771 176.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -41.59 97.15 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.806 0.842 . . . . 0.0 110.249 176.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -64.65 -45.69 85.7 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.38 -46.24 89.21 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.763 1.225 . . . . 0.0 111.597 177.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -59.41 -38.86 81.67 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.569 1.148 . . . . 0.0 110.043 177.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -64.78 -48.85 72.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.638 1.175 . . . . 0.0 109.269 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.49 -45.48 88.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.782 0.833 . . . . 0.0 109.816 178.13 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.06 -40.02 83.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.484 1.514 . . . . 0.0 111.448 177.606 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.04 97.65 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.68 0.673 . . . . 0.0 110.211 177.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -65.86 -45.39 82.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.954 -1.091 . . . . 0.0 110.186 177.049 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -55.95 -60.96 2.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.585 1.554 . . . . 0.0 111.491 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -65.47 -13.12 58.12 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.83 -39.25 2.37 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 119.655 1.116 . . . . 0.0 115.777 178.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 m -137.38 0.9 2.35 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.88 -73.3 1.11 Allowed Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.524 1.059 . . . . 0.0 112.315 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -47.73 62.54 Favored Pre-proline 0 N--CA 1.473 0.711 0 CA-C-O 116.934 -1.508 . . . . 0.0 114.189 -178.479 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.62 -31.39 70.31 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 122.33 1.868 . . . . 0.0 115.145 -178.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.001 0 CA-C-N 119.53 1.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 p -61.7 -31.42 71.56 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 -179.323 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -159.25 173.31 16.52 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.984 1.314 . . . . 0.0 109.723 177.287 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.7 mt -60.29 -39.53 87.24 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.725 -0.61 . . . . 0.0 111.96 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m -60.26 -46.02 91.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.109 177.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.0 p -68.62 -27.36 65.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.727 1.149 . . . . 0.0 111.145 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.7 -43.65 75.61 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 176.652 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.86 -41.04 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.49 -34.81 71.34 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.559 1.144 . . . . 0.0 109.244 177.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.5 -48.32 82.8 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 176.413 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -45.39 94.82 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.413 -1.051 . . . . 0.0 109.562 176.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.97 -41.31 96.13 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.953 0.901 . . . . 0.0 110.632 177.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.0 m -62.61 -41.69 99.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.458 1.103 . . . . 0.0 108.764 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -66.44 -43.39 85.77 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.943 1.297 . . . . 0.0 109.338 178.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.35 -40.76 95.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.634 1.106 . . . . 0.0 108.845 177.693 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.12 -39.12 89.66 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 123.646 0.779 . . . . 0.0 109.469 176.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -62.87 -40.32 97.14 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.875 0.87 . . . . 0.0 109.881 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -62.09 -48.72 78.93 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.89 -51.76 66.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.253 1.421 . . . . 0.0 109.853 177.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -55.3 -39.94 70.49 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.042 1.337 . . . . 0.0 110.254 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -69.15 -41.55 77.15 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.335 0.654 . . . . 0.0 110.003 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -60.58 -26.56 67.04 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.118 -0.989 . . . . 0.0 112.182 177.299 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.22 -32.54 70.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.891 176.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.26 65.08 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 118.748 0.704 . . . . 0.0 109.613 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -61.4 -38.35 86.75 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.245 1.018 . . . . 0.0 111.523 177.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.83 -60.39 2.56 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.645 -0.659 . . . . 0.0 112.022 177.278 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -60.4 -30.72 69.78 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.593 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.96 -14.44 62.74 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.974 0.797 . . . . 0.0 114.936 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.6 m -157.1 -50.14 0.07 Allowed 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.527 1.663 . . . . 0.0 114.314 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.59 -48.27 49.92 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 125.162 1.363 . . . . 0.0 116.429 -177.519 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -56.38 0.82 Allowed Pre-proline 0 N--CA 1.475 0.799 0 CA-C-N 119.169 1.484 . . . . 0.0 112.184 177.554 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -62.1 -15.13 41.95 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.818 3.012 . . . . 0.0 116.693 -179.471 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 120.165 1.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 117.785 -1.102 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -73.37 -22.91 60.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -176.652 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -165.96 178.16 6.62 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.127 1.771 . . . . 0.0 110.209 176.306 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.67 -43.45 85.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 119.278 -0.392 . . . . 0.0 111.706 177.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -56.07 -48.81 75.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.425 1.09 . . . . 0.0 112.397 178.111 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -66.95 -32.93 74.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.45 1.477 . . . . 0.0 111.475 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.53 87.05 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.071 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.0 -39.62 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 118.043 -0.979 . . . . 0.0 109.178 177.293 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.75 -32.32 71.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.901 1.228 . . . . 0.0 111.064 177.412 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.05 -50.59 51.04 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 107.759 -2.136 . . . . 0.0 107.759 176.536 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -58.43 -46.68 86.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.222 1.011 . . . . 0.0 109.696 177.15 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.99 -31.87 69.18 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.331 1.052 . . . . 0.0 111.47 177.713 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.5 m -63.16 -37.48 87.38 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.89 -38.01 58.27 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.698 -1.144 . . . . 0.0 109.038 176.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -60.58 -37.16 80.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.9 1.227 . . . . 0.0 108.619 177.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.48 -49.83 69.83 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -57.67 -43.94 85.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.491 1.516 . . . . 0.0 111.329 179.676 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -58.43 -57.13 14.3 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.19 1.396 . . . . 0.0 107.817 177.484 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -60.5 -42.82 97.15 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.093 0.957 . . . . 0.0 111.899 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -58.87 -41.82 88.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.878 1.217 . . . . 0.0 110.34 176.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.7 m -64.62 -45.95 84.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.432 0.693 . . . . 0.0 110.111 177.298 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -59.89 -43.67 94.67 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.657 -0.652 . . . . 0.0 110.747 177.224 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.27 -39.85 88.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.507 1.123 . . . . 0.0 111.215 178.39 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.89 75.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.085 0.857 . . . . 0.0 109.962 177.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -62.24 -42.27 99.17 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.318 -0.864 . . . . 0.0 111.393 177.387 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -64.69 -41.83 95.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.202 1.001 . . . . 0.0 113.043 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -81.61 -26.54 34.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.08 -21.93 19.04 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 116.711 1.444 . . . . 0.0 116.711 178.035 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.6 m -134.05 -48.22 0.79 Allowed 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.565 -1.55 . . . . 0.0 114.991 -178.036 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.96 -54.83 34.36 Favored Glycine 0 N--CA 1.479 1.504 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -177.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 p -79.01 -46.42 1.71 Allowed Pre-proline 0 N--CA 1.473 0.684 0 CA-C-O 116.588 -1.672 . . . . 0.0 113.984 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -64.02 -29.34 66.23 Favored 'Trans proline' 0 C--N 1.357 1.017 0 CA-C-N 122.87 2.061 . . . . 0.0 113.636 177.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.559 0 O-C-N 120.382 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 p -77.36 -28.75 53.08 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -177.801 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -161.26 179.98 7.9 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.733 1.213 . . . . 0.0 111.575 -177.418 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp -50.57 -54.86 19.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.9 1.28 . . . . 0.0 111.222 177.628 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -57.54 -45.62 84.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 126.174 1.79 . . . . 0.0 112.461 -178.346 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -68.85 -32.72 72.61 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.393 0.997 . . . . 0.0 111.508 177.625 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -41.55 79.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.17 -47.07 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.316 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 tp -57.44 -37.27 72.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.618 1.167 . . . . 0.0 110.178 177.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.78 77.45 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 120.763 -1.21 . . . . 0.0 110.577 176.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.31 -40.38 95.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.285 1.542 . . . . 0.0 110.362 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.31 -41.69 98.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.13 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -62.31 -35.6 79.57 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.51 1.124 . . . . 0.0 109.801 177.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.91 -46.6 71.13 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.79 1.177 . . . . 0.0 108.209 177.697 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.37 -37.42 87.19 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 119.933 1.242 . . . . 0.0 109.26 178.272 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.95 -45.69 91.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.388 1.075 . . . . 0.0 108.149 176.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -56.92 -46.53 81.93 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 109.638 178.238 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.01 -55.37 34.81 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.305 1.042 . . . . 0.0 109.497 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 tp -51.44 -50.52 59.57 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.944 1.698 . . . . 0.0 112.433 177.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -61.38 -39.06 89.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.071 0.948 . . . . 0.0 111.08 177.387 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -67.28 -38.98 85.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.032 0.933 . . . . 0.0 110.689 177.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -62.71 -46.83 86.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.202 -0.936 . . . . 0.0 108.493 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.7 -36.62 79.23 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.24 1.016 . . . . 0.0 111.381 177.237 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -48.32 76.62 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.01 -1.056 . . . . 0.0 109.535 176.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.7 m -61.68 -39.69 92.34 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.314 -1.491 . . . . 0.0 109.415 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.71 -57.39 7.23 Favored 'General case' 0 CA--C 1.562 1.425 0 O-C-N 120.513 -1.367 . . . . 0.0 111.572 177.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.2 p -63.95 -26.02 68.4 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -178.277 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.72 -9.9 45.05 Favored Glycine 0 C--N 1.347 1.145 0 C-N-CA 125.27 1.414 . . . . 0.0 115.832 178.491 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -151.67 -51.95 0.12 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 119.669 -2.077 . . . . 0.0 115.005 177.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.8 -61.2 4.92 Favored Glycine 0 N--CA 1.468 0.804 0 C-N-CA 126.156 1.836 . . . . 0.0 117.324 -178.326 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.09 -48.09 2.08 Favored Pre-proline 0 N--CA 1.475 0.815 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.768 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.74 -8.94 21.0 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.948 2.432 . . . . 0.0 116.317 177.647 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.082 0 CA-C-N 121.029 1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -70.84 -32.4 69.42 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -177.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -160.08 175.76 12.59 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.248 1.419 . . . . 0.0 110.761 177.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 tp -56.36 -42.43 77.78 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.732 -0.605 . . . . 0.0 112.183 178.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -58.19 -50.18 74.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.44 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.1 p -63.86 -34.04 77.05 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 120.08 1.309 . . . . 0.0 110.317 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -45.68 77.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.413 1.006 . . . . 0.0 109.07 -179.578 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.75 -40.94 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 119.947 -1.721 . . . . 0.0 109.279 177.474 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.78 -31.44 72.41 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.615 1.098 . . . . 0.0 109.331 175.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.45 -47.42 63.01 Favored Glycine 0 CA--C 1.543 1.83 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 177.318 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.67 -46.36 89.27 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.375 1.088 . . . . 0.0 109.103 176.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.71 -41.62 91.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.654 0.661 . . . . 0.0 110.253 176.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -62.12 -38.38 88.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.451 176.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.41 -39.64 85.54 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.077 0.853 . . . . 0.0 108.833 176.9 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 21.0 mm-40 -67.12 -34.79 78.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.225 0.92 . . . . 0.0 109.267 177.472 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.5 -37.97 83.63 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 176.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -66.57 -42.04 87.63 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.867 1.267 . . . . 0.0 108.032 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.7 mttt -62.92 -44.85 94.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.544 1.137 . . . . 0.0 107.95 177.155 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.63 -47.52 85.26 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.42 1.088 . . . . 0.0 110.178 177.244 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.01 -37.25 84.17 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 120.04 1.291 . . . . 0.0 110.918 176.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -66.47 -40.26 89.24 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.718 1.207 . . . . 0.0 108.286 178.88 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.14 -38.19 81.9 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.794 177.188 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -41.61 95.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.137 1.335 . . . . 0.0 108.854 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.21 92.06 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.951 0.796 . . . . 0.0 109.697 177.53 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -60.36 -52.8 63.71 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.936 1.294 . . . . 0.0 109.776 177.434 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -55.28 -52.69 62.61 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.504 2.322 . . . . 0.0 111.973 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -73.84 -38.44 64.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.559 1.144 . . . . 0.0 112.912 -177.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.62 -22.44 46.82 Favored Glycine 0 N--CA 1.475 1.237 0 O-C-N 120.638 -1.289 . . . . 0.0 116.217 -176.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 m -148.93 -37.45 0.17 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -179.477 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.9 -22.21 64.3 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 126.003 1.763 . . . . 0.0 115.304 -177.297 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.6 p -115.11 -42.52 0.06 OUTLIER Pre-proline 0 N--CA 1.479 1.008 0 CA-C-O 116.657 -1.639 . . . . 0.0 113.361 178.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -75.36 -4.9 15.97 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 123.357 2.705 . . . . 0.0 115.267 177.497 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.019 0 CA-C-N 119.729 1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p -47.52 -47.58 27.74 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -177.128 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -152.47 169.21 23.16 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.43 1.492 . . . . 0.0 109.552 176.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.21 -42.79 99.34 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.855 -1.153 . . . . 0.0 112.621 -177.212 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -59.31 -47.89 83.68 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.4 177.554 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -65.06 -26.38 68.22 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.028 0.831 . . . . 0.0 111.439 176.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -45.89 70.17 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.53 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.73 -41.52 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 123.703 0.801 . . . . 0.0 109.036 176.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.65 -41.18 89.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.246 1.018 . . . . 0.0 111.19 177.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.51 88.6 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 125.39 1.471 . . . . 0.0 109.465 178.329 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.59 -49.3 78.29 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.66 -43.19 84.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.18 0.992 . . . . 0.0 110.931 177.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.8 m -60.65 -39.16 87.28 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.546 1.521 . . . . 0.0 109.731 177.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -69.03 -43.95 73.7 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.332 1.053 . . . . 0.0 109.264 177.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 11.3 mm-40 -65.71 -35.59 81.19 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.7 -1.25 . . . . 0.0 110.229 177.041 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.98 -38.57 79.42 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.633 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -62.99 -40.91 99.17 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 107.377 178.012 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 87.1 mttt -67.34 -41.96 84.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.977 0.911 . . . . 0.0 109.484 176.319 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.11 -45.06 96.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.206 1.402 . . . . 0.0 110.037 177.398 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -64.3 -34.3 77.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 109.948 176.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -65.86 -48.32 71.96 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.89 -45.48 78.6 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.327 1.051 . . . . 0.0 110.097 176.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.35 -38.55 89.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.681 0.793 . . . . 0.0 110.9 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.54 92.32 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.862 0.865 . . . . 0.0 109.332 177.271 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -65.3 -44.24 88.54 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.225 0.92 . . . . 0.0 109.259 177.513 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.64 -49.16 78.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.253 1.821 . . . . 0.0 112.736 178.261 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -90.09 -14.25 34.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -177.183 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.06 -18.91 11.35 Favored Glycine 0 CA--C 1.546 1.978 0 C-N-CA 125.923 1.725 . . . . 0.0 115.497 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -140.61 -50.72 0.46 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.59 -61.81 6.67 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.68 1.61 . . . . 0.0 116.695 -177.069 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -86.77 -32.22 0.43 Allowed Pre-proline 0 N--CA 1.472 0.673 0 N-CA-C 117.149 2.278 . . . . 0.0 117.149 -178.003 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -85.07 0.55 8.83 Favored 'Trans proline' 0 CA--C 1.566 2.084 0 C-N-CA 123.08 2.52 . . . . 0.0 114.052 176.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.386 0 O-C-N 119.962 -1.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 p -58.9 -32.56 69.64 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -177.371 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -157.71 175.72 13.53 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 110.424 177.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 tp -62.57 -40.92 98.42 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.587 -0.695 . . . . 0.0 112.447 -178.508 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -62.86 -41.37 99.34 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.75 0.705 . . . . 0.0 111.175 176.179 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.2 p -66.25 -27.57 68.05 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.407 1.458 . . . . 0.0 109.352 176.902 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.94 74.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.626 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.39 -38.67 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.471 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -64.44 -30.7 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.363 1.065 . . . . 0.0 108.684 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.54 -47.09 43.9 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 107.609 -2.196 . . . . 0.0 107.609 177.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.89 -45.61 91.97 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.806 1.242 . . . . 0.0 108.43 176.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.17 -44.94 96.51 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.17 -38.75 87.6 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.81 0.844 . . . . 0.0 110.974 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -67.96 -48.67 65.23 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.044 1.338 . . . . 0.0 110.66 177.349 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -62.08 -36.53 81.95 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 119.83 1.195 . . . . 0.0 109.481 177.176 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.02 -38.43 85.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.837 0.855 . . . . 0.0 109.252 176.261 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -64.58 -43.27 94.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.449 1.5 . . . . 0.0 108.198 177.729 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.32 -45.78 86.41 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.324 1.05 . . . . 0.0 108.289 177.244 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.48 -47.73 84.86 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.099 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -62.64 -31.46 72.33 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 110.315 177.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -67.34 -46.3 73.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.553 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.21 -37.08 83.97 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.85 -39.55 94.73 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.042 1.292 . . . . 0.0 108.97 178.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.76 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.58 177.059 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.2 m -61.89 -39.35 91.66 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.317 -0.864 . . . . 0.0 111.551 177.279 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -62.87 -56.23 19.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.138 1.775 . . . . 0.0 110.989 177.296 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.1 p -69.17 -33.13 72.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 -9.47 59.6 Favored Glycine 0 CA--C 1.531 1.081 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.8 m -151.12 -46.09 0.12 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.345 1.573 . . . . 0.0 113.973 178.056 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.94 -40.25 81.18 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.372 0.987 . . . . 0.0 114.924 -177.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 p -91.47 -51.3 0.3 Allowed Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 125.953 1.701 . . . . 0.0 114.351 177.436 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.53 1.3 8.13 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 122.847 2.364 . . . . 0.0 115.123 177.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 119.8 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -67.5 -45.86 74.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 118.368 2.729 . . . . 0.0 118.368 -177.147 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -149.18 176.51 10.44 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.702 1.592 . . . . 0.0 110.972 177.972 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.74 -57.33 10.49 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.821 1.249 . . . . 0.0 112.933 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -57.46 -48.38 79.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.582 1.153 . . . . 0.0 112.161 178.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -67.46 -29.09 68.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.639 1.108 . . . . 0.0 112.016 178.103 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -42.57 77.26 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.069 1.304 . . . . 0.0 108.872 176.374 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.08 -45.24 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.246 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.01 -33.76 73.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.877 1.271 . . . . 0.0 109.782 178.136 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.18 57.37 Favored Glycine 0 N--CA 1.473 1.139 0 C-N-CA 125.732 1.634 . . . . 0.0 109.366 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.0 -43.4 95.21 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.262 1.031 . . . . 0.0 108.803 176.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.06 -43.13 96.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.98 0.912 . . . . 0.0 108.74 179.222 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.1 m -60.83 -41.48 95.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.741 0.816 . . . . 0.0 109.652 177.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -64.28 -46.69 82.56 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.436 1.494 . . . . 0.0 110.141 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.5 -41.47 94.36 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.85 1.204 . . . . 0.0 109.317 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.84 -42.05 97.68 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 118.864 0.756 . . . . 0.0 109.504 176.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.53 -41.56 94.72 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.813 1.245 . . . . 0.0 110.393 177.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.56 -45.55 89.97 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.511 1.125 . . . . 0.0 108.029 176.7 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -58.32 -48.54 80.22 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.028 0.931 . . . . 0.0 108.971 177.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.44 -35.28 75.46 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 124.416 1.086 . . . . 0.0 108.802 -178.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -62.42 -47.47 83.93 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.428 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -62.57 -37.13 84.98 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 118.532 -0.747 . . . . 0.0 111.532 176.691 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.65 -33.97 77.13 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 118.698 -0.668 . . . . 0.0 109.919 177.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.09 72.74 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -38.25 86.18 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 117.849 0.295 . . . . 0.0 110.254 177.725 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -62.04 -55.77 25.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.057 -1.027 . . . . 0.0 111.422 176.348 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -66.95 -27.21 67.28 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -178.41 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.95 -28.63 9.2 Favored Glycine 0 N--CA 1.477 1.431 0 CA-C-N 119.526 1.057 . . . . 0.0 114.175 -177.767 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -135.41 -45.25 0.69 Allowed 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.818 1.309 . . . . 0.0 113.388 -176.242 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.65 -51.51 32.81 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.986 1.755 . . . . 0.0 114.799 -177.081 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -95.23 -41.75 0.28 Allowed Pre-proline 0 N--CA 1.494 1.738 0 CA-C-O 116.033 -1.937 . . . . 0.0 114.869 177.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -67.98 7.55 0.59 Allowed 'Trans proline' 0 CA--C 1.574 2.51 0 C-N-CA 123.767 2.978 . . . . 0.0 116.329 176.535 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.08 0 CA-C-N 120.484 1.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 118.209 -0.9 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -64.26 -56.45 14.51 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -177.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -139.07 171.67 13.97 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.459 1.104 . . . . 0.0 111.2 176.255 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.23 -42.69 91.65 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -177.66 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -58.39 -50.11 74.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.401 1.001 . . . . 0.0 111.407 177.409 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.4 p -65.97 -33.29 75.47 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.366 -0.833 . . . . 0.0 110.604 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -40.25 88.07 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.772 0.715 . . . . 0.0 109.108 177.607 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.63 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.713 1.205 . . . . 0.0 108.206 177.338 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 tp -65.42 -34.67 78.84 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.62 -43.7 91.47 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 175.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.67 -42.59 99.71 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.73 1.212 . . . . 0.0 107.991 177.179 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.81 -46.69 88.45 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 m -60.52 -38.35 84.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.5 1.045 . . . . 0.0 110.61 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.71 -51.47 64.84 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.166 1.348 . . . . 0.0 109.658 177.458 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.16 -34.04 77.43 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.965 -1.084 . . . . 0.0 111.738 178.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.65 -39.53 84.6 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.458 1.103 . . . . 0.0 108.946 176.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -61.37 -45.16 95.54 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.591 1.156 . . . . 0.0 108.132 177.699 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -63.03 -49.73 73.46 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.761 0.824 . . . . 0.0 109.593 177.1 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.63 -46.14 81.15 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.057 1.343 . . . . 0.0 111.539 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -66.83 -27.48 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.213 1.005 . . . . 0.0 111.574 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -72.2 -41.84 66.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.259 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 177.181 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.32 -34.97 79.36 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.298 1.039 . . . . 0.0 109.396 -179.668 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.93 92.18 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.767 1.227 . . . . 0.0 108.117 178.338 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.4 m -67.51 -41.34 84.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.443 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -60.82 -53.87 52.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.309 1.444 . . . . 0.0 112.069 177.621 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -66.43 34.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 128.758 2.823 . . . . 0.0 115.066 178.469 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.29 -75.32 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 C-N-CA 126.729 2.109 . . . . 0.0 111.209 -179.254 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 m -85.25 -15.9 41.97 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.197 1.399 . . . . 0.0 114.575 -179.032 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.89 -55.89 2.31 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 119.795 1.18 . . . . 0.0 114.463 -178.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -115.92 -46.39 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.118 0 N-CA-C 117.384 2.365 . . . . 0.0 117.384 -178.523 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.52 -16.5 52.66 Favored 'Trans proline' 0 CA--C 1.548 1.22 0 C-N-CA 123.455 2.77 . . . . 0.0 117.574 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.133 0 CA-C-N 119.906 1.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 116.959 -1.496 . . . . 0.0 108.392 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -61.84 -38.07 86.84 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.713 1.605 . . . . 0.0 114.779 -177.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -158.78 171.67 19.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.07 1.348 . . . . 0.0 109.189 -177.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.99 -48.17 80.81 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.262 -1.524 . . . . 0.0 112.667 -179.668 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -62.45 -41.01 98.43 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.205 0.911 . . . . 0.0 110.838 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -68.62 -30.65 69.42 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 120.4 1.455 . . . . 0.0 109.962 176.337 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -39.97 91.84 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -65.58 -45.97 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.88 -39.53 81.69 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.208 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.15 87.87 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 117.801 -1.555 . . . . 0.0 109.631 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.73 -42.85 97.83 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.738 1.269 . . . . 0.0 110.642 177.34 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.77 -42.18 98.65 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.462 1.028 . . . . 0.0 108.834 177.235 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -65.68 -33.21 75.36 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.559 -1.21 . . . . 0.0 109.56 177.298 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -72.72 -38.32 67.5 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.968 175.577 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.03 -38.68 91.97 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 121.162 1.801 . . . . 0.0 107.4 176.142 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.67 -41.89 87.44 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.488 -1.383 . . . . 0.0 108.423 177.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -63.09 -39.07 93.64 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.357 1.463 . . . . 0.0 108.722 177.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.26 -48.05 74.58 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.149 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.2 -39.36 89.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.679 177.367 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.25 -27.59 68.07 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.756 1.222 . . . . 0.0 110.208 176.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.1 m -69.3 -48.06 62.67 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.63 -33.23 75.46 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.823 -0.548 . . . . 0.0 110.87 177.121 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.37 -43.43 97.65 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.985 1.314 . . . . 0.0 108.747 176.757 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.35 96.28 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.069 0.85 . . . . 0.0 109.844 177.407 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.24 -46.71 87.63 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.44 -0.788 . . . . 0.0 110.295 177.371 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -58.21 -58.19 9.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.22 1.408 . . . . 0.0 112.619 179.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.5 p -61.71 -5.15 1.76 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.645 2.378 . . . . 0.0 114.701 -176.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.35 -48.02 0.12 Allowed Glycine 0 CA--C 1.533 1.18 0 CA-C-N 119.982 1.265 . . . . 0.0 114.611 177.283 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -110.6 -2.83 16.22 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -178.321 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.58 -38.97 2.3 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -177.786 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.4 p -118.71 -45.21 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.39 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -68.09 -18.0 45.74 Favored 'Trans proline' 0 CA--C 1.547 1.155 0 C-N-CA 122.601 2.201 . . . . 0.0 114.001 179.072 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.727 0 CA-C-N 119.619 1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 117.783 -1.103 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -61.17 -28.27 69.01 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -177.794 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -162.0 177.13 10.05 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.723 1.609 . . . . 0.0 110.624 176.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.28 -46.38 83.17 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.308 -0.87 . . . . 0.0 111.879 177.947 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.78 -46.61 77.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.625 1.17 . . . . 0.0 112.066 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 p -66.99 -24.6 66.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.954 1.252 . . . . 0.0 110.942 176.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -37.73 64.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.511 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.02 -44.06 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.28 -46.25 83.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.562 1.545 . . . . 0.0 108.102 176.917 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.76 82.87 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.376 1.465 . . . . 0.0 110.024 179.111 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.5 -52.25 66.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.361 1.064 . . . . 0.0 109.936 177.551 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.52 -47.75 72.74 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.256 1.023 . . . . 0.0 111.304 178.153 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.4 m -63.02 -35.88 81.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.472 0.709 . . . . 0.0 111.463 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.84 -40.76 68.83 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.477 1.035 . . . . 0.0 109.511 177.654 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.49 -34.11 77.49 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 119.764 1.165 . . . . 0.0 108.412 177.427 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.25 -41.24 81.42 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.61 -39.48 91.41 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.163 0.985 . . . . 0.0 109.166 177.099 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -65.47 -43.68 89.5 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.464 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.62 -44.0 96.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.454 1.101 . . . . 0.0 108.989 178.649 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.29 -37.66 86.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.784 1.234 . . . . 0.0 108.939 177.108 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -67.33 -51.21 55.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.841 1.256 . . . . 0.0 108.993 178.438 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -58.12 -37.76 75.19 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.268 1.027 . . . . 0.0 110.732 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.49 -41.24 98.68 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.166 0.986 . . . . 0.0 109.658 177.733 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.02 78.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.377 1.071 . . . . 0.0 109.299 176.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.0 m -58.25 -44.67 88.43 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.712 -1.242 . . . . 0.0 110.274 177.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.77 -44.97 91.85 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.067 1.347 . . . . 0.0 112.726 178.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -74.87 -28.75 60.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -32.39 7.74 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 119.201 0.909 . . . . 0.0 115.336 -178.741 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -131.6 -33.21 1.44 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.92 -45.37 92.65 Favored Glycine 0 N--CA 1.47 0.952 0 CA-C-N 119.058 0.845 . . . . 0.0 114.176 -177.883 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.2 p -92.95 -44.26 0.33 Allowed Pre-proline 0 N--CA 1.476 0.832 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -179.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -76.77 5.15 5.06 Favored 'Trans proline' 0 CA--C 1.555 1.563 0 C-N-CA 123.646 2.897 . . . . 0.0 114.554 -179.418 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.279 0 CA-C-N 120.912 1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p -66.53 -29.54 69.65 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 178.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -161.18 179.08 8.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.808 1.643 . . . . 0.0 109.631 177.299 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.04 -45.67 86.62 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.036 -1.04 . . . . 0.0 111.763 177.599 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.74 -50.75 69.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.276 1.031 . . . . 0.0 111.906 177.789 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.0 p -67.44 -27.13 66.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.465 1.03 . . . . 0.0 111.652 177.442 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -44.97 68.03 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.634 1.106 . . . . 0.0 108.694 176.299 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.73 -38.95 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.476 1.11 . . . . 0.0 108.358 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.6 -38.04 89.62 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 121.075 -1.015 . . . . 0.0 108.416 178.044 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.65 -43.76 98.64 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 109.159 -1.577 . . . . 0.0 109.159 176.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.72 -46.02 87.32 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.055 -1.45 . . . . 0.0 108.343 176.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.9 -40.28 79.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.421 1.464 . . . . 0.0 110.118 177.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.0 m -64.65 -37.76 88.68 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.345 0.975 . . . . 0.0 109.199 177.512 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -68.27 -43.69 77.23 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.628 177.078 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.4 -36.16 79.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.041 1.292 . . . . 0.0 110.426 175.791 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -67.49 -44.17 79.16 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.099 0.96 . . . . 0.0 108.889 176.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -66.27 -36.66 83.56 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 120.221 1.373 . . . . 0.0 108.703 178.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.43 -46.23 87.28 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.018 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.94 -47.8 79.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.513 1.525 . . . . 0.0 109.989 177.41 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -60.51 -39.16 86.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.457 1.026 . . . . 0.0 110.824 176.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -65.82 -43.81 87.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.742 1.217 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -67.1 -40.35 86.87 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.649 -0.657 . . . . 0.0 109.257 177.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.77 -38.98 90.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.57 1.548 . . . . 0.0 109.596 177.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.85 87.97 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.61 0.764 . . . . 0.0 109.03 177.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 m -65.32 -44.02 89.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.453 1.101 . . . . 0.0 110.111 177.014 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -60.38 -56.24 23.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.075 2.15 . . . . 0.0 111.493 177.127 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.6 p -74.01 -30.42 62.44 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.908 1.283 . . . . 0.0 114.145 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.35 -11.15 54.89 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 116.584 1.394 . . . . 0.0 116.584 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.8 m -148.4 -47.49 0.15 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.854 -1.968 . . . . 0.0 114.168 177.578 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.05 -48.42 63.08 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.142 0.877 . . . . 0.0 114.58 -178.116 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 p -85.8 -48.28 0.56 Allowed Pre-proline 0 N--CA 1.477 0.901 0 CA-C-O 115.928 -1.987 . . . . 0.0 114.117 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.83 -12.16 34.49 Favored 'Trans proline' 0 CA--C 1.566 2.119 0 C-N-CA 122.618 2.212 . . . . 0.0 116.015 177.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.288 0 CA-C-N 120.161 1.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -77.99 -33.84 51.13 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -177.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -153.13 175.9 12.51 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.978 1.711 . . . . 0.0 110.664 -179.015 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.89 -43.42 94.79 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.061 179.459 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.61 -43.6 93.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.292 0.951 . . . . 0.0 111.75 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p -67.56 -33.32 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 110.093 177.395 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 -40.4 81.47 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.636 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.92 -46.26 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.338 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 tp -57.67 -43.0 84.7 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.924 1.238 . . . . 0.0 108.646 177.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.74 -44.08 98.37 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 177.29 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -62.79 -43.91 97.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.637 177.216 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.8 mt -58.42 -45.64 88.03 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.648 1.567 . . . . 0.0 109.388 177.053 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.34 -38.24 86.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.587 0.755 . . . . 0.0 110.879 176.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -68.55 -44.44 74.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.088 0.955 . . . . 0.0 109.894 177.581 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -40.2 95.23 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.504 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.59 -43.65 98.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.932 1.293 . . . . 0.0 109.02 177.204 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -58.54 -43.12 89.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.855 1.262 . . . . 0.0 109.135 177.295 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.63 -53.12 56.49 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.308 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.21 -48.84 67.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.38 1.472 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -56.96 -46.17 82.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.272 1.396 . . . . 0.0 111.248 177.288 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -65.33 -48.78 71.85 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.538 0.735 . . . . 0.0 111.227 178.588 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -58.14 -43.14 87.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.926 0.89 . . . . 0.0 109.863 177.598 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.16 -36.86 85.02 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 117.619 -1.181 . . . . 0.0 109.486 179.02 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.73 86.51 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.473 1.033 . . . . 0.0 109.898 176.316 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -61.76 -47.87 83.22 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.617 0.767 . . . . 0.0 110.078 177.183 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -56.31 -54.79 41.3 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.684 1.994 . . . . 0.0 112.338 177.499 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -76.12 -32.16 59.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.334 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.45 -22.45 29.16 Favored Glycine 0 CA--C 1.551 2.344 0 CA-C-O 116.849 -2.084 . . . . 0.0 117.166 -179.75 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -137.54 -29.46 0.87 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 179.933 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.74 -63.54 2.7 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.312 -0.868 . . . . 0.0 113.991 -177.493 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 p -67.71 -38.12 14.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -177.499 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -64.62 -12.16 32.36 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 122.848 2.365 . . . . 0.0 115.514 177.423 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.5 0 CA-C-N 121.168 1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.52 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -66.6 -57.32 7.47 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -178.472 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -133.88 169.56 16.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.778 0.831 . . . . 0.0 109.993 177.724 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.0 mt -59.86 -43.73 94.53 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.315 -0.865 . . . . 0.0 112.713 -177.388 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -61.13 -48.99 79.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.537 0.735 . . . . 0.0 111.712 177.754 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -63.16 -32.08 73.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.149 0.431 . . . . 0.0 110.611 177.114 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -44.15 70.34 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.174 -178.673 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.83 -53.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.038 1.335 . . . . 0.0 110.53 176.871 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.18 -43.54 92.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.125 0.97 . . . . 0.0 111.744 177.449 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.41 -46.33 94.08 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.99 1.281 . . . . 0.0 110.251 178.397 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.42 -42.51 98.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.92 177.518 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.27 -51.05 70.93 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.426 1.466 . . . . 0.0 108.843 176.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.3 -37.2 79.8 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.81 0.814 . . . . 0.0 109.178 -179.251 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.12 -42.25 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.051 -2.281 . . . . 0.0 110.423 179.58 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.09 -39.93 93.89 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.8 1.182 . . . . 0.0 108.237 177.577 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.38 -40.88 98.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.494 0.718 . . . . 0.0 110.205 176.395 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.77 -42.08 98.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.484 1.114 . . . . 0.0 108.682 176.604 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -63.46 -44.43 94.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.838 0.745 . . . . 0.0 109.114 177.253 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.57 -45.7 88.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 117.525 -1.226 . . . . 0.0 109.923 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -57.01 -52.33 65.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.845 1.202 . . . . 0.0 109.944 177.43 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -60.05 -46.89 88.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.287 1.035 . . . . 0.0 112.965 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.43 -42.99 98.69 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.885 -1.135 . . . . 0.0 110.928 177.391 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -63.74 -38.84 92.62 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.2 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.96 95.42 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.48 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 m -61.24 -45.98 92.3 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 0.0 110.264 176.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.72 -51.32 60.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.776 0.83 . . . . 0.0 112.953 178.406 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -69.04 -25.34 64.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.979 1.312 . . . . 0.0 113.912 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.56 -34.33 5.83 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.451 1.501 . . . . 0.0 115.457 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -123.83 2.52 8.79 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -178.422 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.68 -76.53 0.6 Allowed Glycine 0 N--CA 1.48 1.62 0 C-N-CA 124.909 1.243 . . . . 0.0 114.898 -178.546 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.4 p -57.68 -33.87 21.32 Favored Pre-proline 0 CA--C 1.552 1.049 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 178.745 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.39 -8.45 16.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.903 2.402 . . . . 0.0 116.718 177.895 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.397 0 CA-C-N 120.933 1.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 p -56.82 -45.22 82.46 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -177.246 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -150.07 176.08 11.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.149 0.98 . . . . 0.0 111.085 177.439 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.42 -40.88 92.59 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.638 -0.696 . . . . 0.0 112.685 -179.539 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -60.62 -48.69 80.66 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.223 0.92 . . . . 0.0 110.549 177.063 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.4 p -65.66 -27.64 68.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.854 0.752 . . . . 0.0 111.612 177.208 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -42.86 70.25 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 121.302 -0.873 . . . . 0.0 108.844 177.004 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.48 -42.87 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.648 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -59.23 -46.35 88.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.855 1.262 . . . . 0.0 108.642 177.181 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.56 -42.16 95.9 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.971 1.272 . . . . 0.0 111.097 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.03 -40.43 97.7 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.656 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.83 -41.18 95.95 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.524 1.056 . . . . 0.0 109.461 176.791 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.8 -39.94 95.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.518 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -62.59 -47.62 83.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.801 1.641 . . . . 0.0 109.647 177.194 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.99 -48.68 80.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.503 1.047 . . . . 0.0 109.134 177.078 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.11 -43.78 82.64 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.604 1.093 . . . . 0.0 111.439 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.39 -43.69 92.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.616 1.166 . . . . 0.0 110.192 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -64.0 -52.94 57.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.99 0.916 . . . . 0.0 109.282 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.91 -48.2 80.58 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -176.613 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -55.98 -45.05 79.09 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 120.044 1.293 . . . . 0.0 111.159 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.5 m -67.5 -44.64 77.97 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.004 -1.06 . . . . 0.0 111.223 178.373 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.0 -43.05 91.44 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 120.135 1.334 . . . . 0.0 110.593 177.418 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -61.69 -40.56 95.42 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.402 1.481 . . . . 0.0 110.015 177.41 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.9 -45.55 85.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.369 0.668 . . . . 0.0 110.686 176.691 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -60.64 -46.27 90.93 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.21 1.004 . . . . 0.0 109.06 179.232 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.76 -52.19 65.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.376 1.47 . . . . 0.0 112.519 179.058 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.2 p -71.38 -34.51 70.49 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -179.811 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.26 -30.85 11.49 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.757 1.17 . . . . 0.0 115.326 -177.479 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -136.31 -6.48 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -175.43 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.86 -46.87 1.56 Allowed Glycine 0 N--CA 1.48 1.603 0 CA-C-N 120.304 1.411 . . . . 0.0 115.541 -178.36 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 p -73.95 -32.88 1.6 Allowed Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -179.408 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.57 -25.19 65.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 123.134 2.556 . . . . 0.0 116.052 179.504 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.194 0 O-C-N 121.11 -0.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 p -88.07 -24.53 23.41 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -177.539 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -157.33 171.61 20.1 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.271 1.828 . . . . 0.0 109.263 177.451 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.03 -41.81 88.7 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.784 -1.197 . . . . 0.0 112.921 -178.007 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -62.24 -46.7 87.68 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.76 0.709 . . . . 0.0 110.821 177.228 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.1 p -68.63 -20.31 64.47 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.905 0.775 . . . . 0.0 110.275 177.143 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -42.33 60.71 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.798 -1.189 . . . . 0.0 107.843 177.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -61.69 -44.56 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 177.349 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.26 -46.68 89.35 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.263 1.425 . . . . 0.0 110.269 177.296 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -44.41 97.96 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 124.87 1.224 . . . . 0.0 111.87 177.377 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.99 -38.58 82.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.264 1.032 . . . . 0.0 110.569 176.843 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.33 -43.34 94.93 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.152 176.659 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -64.33 -36.65 84.83 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 118.871 0.759 . . . . 0.0 111.39 177.224 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -63.11 -52.69 61.61 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.823 1.249 . . . . 0.0 109.242 177.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -64.09 -34.32 77.78 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.208 -0.933 . . . . 0.0 110.925 177.345 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.8 -39.48 93.67 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.842 1.201 . . . . 0.0 109.32 177.805 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -63.97 -42.45 97.26 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.473 0.579 . . . . 0.0 109.939 176.871 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.02 -48.64 80.83 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 123.59 0.756 . . . . 0.0 109.704 176.606 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.25 -48.81 70.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.605 1.562 . . . . 0.0 111.038 177.761 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.39 -43.95 97.98 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.252 0.933 . . . . 0.0 111.401 177.902 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.5 m -62.61 -45.84 91.05 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.507 -1.371 . . . . 0.0 110.677 176.577 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -66.31 -31.9 72.97 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.803 -1.185 . . . . 0.0 111.739 177.265 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.48 -42.14 96.06 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.98 1.264 . . . . 0.0 108.684 176.902 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.06 89.62 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.179 0.592 . . . . 0.0 109.549 177.146 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -64.46 -41.4 96.54 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.1 0.96 . . . . 0.0 110.614 176.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.02 -49.43 67.74 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.982 1.713 . . . . 0.0 111.717 177.376 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -72.73 -32.67 65.87 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.755 0.822 . . . . 0.0 113.138 -179.763 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.41 -13.74 56.71 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.012 1.291 . . . . 0.0 114.493 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.9 m -146.99 -51.09 0.2 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.398 1.599 . . . . 0.0 113.536 177.73 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.74 -53.73 16.4 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 116.372 1.309 . . . . 0.0 116.372 -177.563 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.4 p -87.13 -43.25 0.53 Allowed Pre-proline 0 N--CA 1.477 0.899 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 -177.774 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.85 -13.79 14.19 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 CA-C-N 123.248 2.196 . . . . 0.0 114.978 179.664 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.33 0 CA-C-N 120.262 1.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 p -71.06 -53.9 13.05 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.349 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -139.77 173.48 11.48 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.953 1.301 . . . . 0.0 109.94 177.416 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.12 -44.23 97.1 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.511 -1.368 . . . . 0.0 113.293 -177.507 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -63.09 -44.16 96.49 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.88 176.874 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -66.94 -28.57 68.4 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.146 1.339 . . . . 0.0 110.947 176.903 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -42.8 82.94 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 177.621 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.07 -43.13 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.34 -41.67 80.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.457 1.503 . . . . 0.0 108.116 177.188 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.27 96.42 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 108.052 -2.019 . . . . 0.0 108.052 178.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.25 -37.91 87.27 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.585 1.192 . . . . 0.0 109.699 177.43 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.84 -46.86 87.65 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.164 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m -60.09 -35.79 75.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.005 0.522 . . . . 0.0 110.498 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -69.75 -44.17 70.75 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.407 1.083 . . . . 0.0 111.333 177.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.05 -38.9 92.74 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.025 1.284 . . . . 0.0 109.646 175.518 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -43.1 95.59 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 176.936 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -63.15 -36.55 83.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.873 0.869 . . . . 0.0 110.702 177.16 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.89 -47.41 85.89 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.568 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.76 -45.5 94.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.707 177.034 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -58.35 -46.65 85.85 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.369 0.986 . . . . 0.0 111.808 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.7 m -58.05 -56.0 27.66 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.453 1.101 . . . . 0.0 109.893 178.34 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -66.68 -28.39 68.41 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.222 0.919 . . . . 0.0 112.701 179.55 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 tp -69.36 -34.82 75.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.928 1.24 . . . . 0.0 108.049 176.687 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.69 78.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.638 1.175 . . . . 0.0 108.09 176.579 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.2 m -62.01 -41.41 98.04 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.366 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.25 -55.42 21.62 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.721 1.608 . . . . 0.0 111.597 177.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -69.9 -28.4 65.59 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.58 1.152 . . . . 0.0 113.811 -178.103 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -27.01 13.79 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-N 119.202 0.91 . . . . 0.0 115.075 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -137.05 -47.44 0.59 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.901 1.35 . . . . 0.0 113.477 -177.85 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.53 -14.09 26.45 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.69 1.614 . . . . 0.0 117.021 -177.941 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.2 p -123.79 -45.76 0.04 OUTLIER Pre-proline 0 N--CA 1.472 0.633 0 CA-C-O 116.975 -1.488 . . . . 0.0 113.385 176.806 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -72.78 -13.89 26.87 Favored 'Trans proline' 0 CA--C 1.553 1.433 0 CA-C-N 123.033 2.119 . . . . 0.0 114.817 176.78 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.115 0 CA-C-N 119.873 1.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -67.68 -35.09 78.21 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 117.156 2.28 . . . . 0.0 117.156 -177.107 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -157.86 174.8 14.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.301 1.441 . . . . 0.0 110.815 178.011 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -56.56 -50.84 70.72 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 120.762 -1.211 . . . . 0.0 112.636 179.051 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -60.63 -43.81 97.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 117.638 -1.173 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 p -67.39 -29.29 68.76 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.897 1.68 . . . . 0.0 110.49 177.679 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -40.9 80.44 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 119.847 1.203 . . . . 0.0 108.336 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.65 -42.36 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 O-C-N 120.418 -1.426 . . . . 0.0 108.003 177.26 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -61.68 -36.97 82.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.077 1.351 . . . . 0.0 107.925 177.854 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -43.31 86.8 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 127.113 2.292 . . . . 0.0 109.528 178.185 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.31 -52.38 65.9 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.214 1.507 . . . . 0.0 108.342 177.368 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.74 -41.54 91.17 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.228 0.467 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.1 m -60.73 -42.61 97.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.457 0.703 . . . . 0.0 110.861 177.198 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 117.98 -1.009 . . . . 0.0 111.504 177.297 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.47 -39.95 92.58 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.237 1.381 . . . . 0.0 107.725 176.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.616 -1.302 . . . . 0.0 107.898 176.069 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.37 -38.39 89.38 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.151 0.98 . . . . 0.0 109.965 178.098 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.51 -46.72 87.16 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 176.577 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.06 -39.01 88.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.799 -1.096 . . . . 0.0 110.901 176.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -60.74 -47.77 84.8 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.247 1.385 . . . . 0.0 109.418 176.604 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 m -61.93 -55.06 33.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 177.222 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -59.72 -36.21 76.11 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.851 0.86 . . . . 0.0 112.829 179.11 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.35 -33.98 72.1 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.505 1.048 . . . . 0.0 108.671 177.532 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.19 -42.09 89.33 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 176.722 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -63.08 -43.12 99.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.283 1.033 . . . . 0.0 109.651 177.705 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.27 -53.7 53.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.33 1.452 . . . . 0.0 112.397 176.167 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -69.96 -36.15 75.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.647 1.179 . . . . 0.0 113.656 -177.974 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.53 -4.18 58.26 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.788 1.475 . . . . 0.0 116.788 -178.045 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.6 m -152.67 -42.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.75 1.775 . . . . 0.0 114.791 177.063 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.45 96.39 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.004 1.288 . . . . 0.0 115.66 -177.217 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.3 p -95.88 -39.37 0.28 Allowed Pre-proline 0 N--CA 1.479 0.986 0 CA-C-O 116.288 -1.815 . . . . 0.0 114.414 177.371 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -66.05 -17.26 54.84 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 C-N-CA 123.975 3.117 . . . . 0.0 114.704 176.383 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.315 0 CA-C-N 120.984 1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 p -56.29 -58.94 5.84 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -176.925 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -137.91 170.09 16.66 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.132 0.878 . . . . 0.0 110.747 176.856 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -42.22 90.44 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -177.267 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -62.71 -47.27 84.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.835 1.198 . . . . 0.0 111.314 177.229 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p -65.76 -30.39 71.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.303 -0.873 . . . . 0.0 110.771 177.184 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -46.89 73.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.532 0.733 . . . . 0.0 109.831 177.157 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.11 -48.52 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 118.301 -0.857 . . . . 0.0 108.908 177.234 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.7 tp -55.55 -41.61 73.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.84 0.746 . . . . 0.0 110.691 177.69 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.82 93.18 Favored Glycine 0 N--CA 1.477 1.374 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 177.043 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.17 -41.37 97.17 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.465 178.341 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.01 -43.93 98.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.541 1.064 . . . . 0.0 109.282 177.033 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.6 m -62.72 -34.06 76.39 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.381 0.672 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -70.98 -40.57 71.84 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.106 0.962 . . . . 0.0 110.615 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 73.0 mm-40 -64.96 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 120.62 1.555 . . . . 0.0 108.279 175.886 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.99 -42.6 97.16 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.375 1.07 . . . . 0.0 108.897 176.499 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -61.56 -42.53 98.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.831 1.252 . . . . 0.0 109.677 176.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 85.6 mttt -60.17 -50.95 71.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.357 1.063 . . . . 0.0 108.582 176.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.21 -47.53 78.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.467 1.107 . . . . 0.0 110.785 177.418 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -58.24 -50.14 74.62 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 111.503 177.4 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -61.28 -54.01 49.5 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.701 0.801 . . . . 0.0 111.033 177.242 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -63.87 -28.7 70.02 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.144 -0.931 . . . . 0.0 112.578 -178.44 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 tp -68.04 -38.44 82.51 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.62 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.02 89.84 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.688 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.6 m -61.84 -45.52 93.45 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.565 -0.709 . . . . 0.0 109.337 177.264 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.71 -51.01 71.19 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.314 -1.491 . . . . 0.0 112.364 177.452 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 p -72.28 -29.02 63.48 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -177.911 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.57 -19.89 8.06 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -178.097 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -129.52 -34.66 1.78 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -178.937 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.33 -59.99 3.41 Favored Glycine 0 N--CA 1.471 0.995 0 C-N-CA 125.346 1.451 . . . . 0.0 113.773 -179.338 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.0 p -72.12 -42.35 9.4 Favored Pre-proline 0 N--CA 1.472 0.644 0 CA-C-O 116.227 -1.844 . . . . 0.0 114.051 178.202 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -74.82 1.09 8.01 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.896 2.397 . . . . 0.0 114.961 177.292 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 120.567 1.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 117.889 -1.053 . . . . 0.0 108.652 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -80.83 -54.61 5.45 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 120.294 1.406 . . . . 0.0 114.573 -177.463 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -136.16 173.56 11.58 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.8 1.24 . . . . 0.0 110.189 -178.505 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.38 -50.79 70.56 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.298 -1.501 . . . . 0.0 112.293 -177.835 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -60.16 -45.97 91.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.367 0.985 . . . . 0.0 111.257 -179.369 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -64.84 -30.34 71.34 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.664 -1.272 . . . . 0.0 110.569 176.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -38.76 73.68 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.448 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.56 -49.7 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.521 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.33 -28.67 70.16 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.605 -0.684 . . . . 0.0 109.985 179.204 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.83 -44.97 60.13 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 126.984 2.231 . . . . 0.0 108.543 176.774 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.43 -45.61 83.17 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.01 -44.61 91.73 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.016 177.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -60.7 -38.74 86.04 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.126 0.97 . . . . 0.0 111.047 175.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -67.3 -41.95 84.53 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.854 1.262 . . . . 0.0 109.306 178.013 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.32 -42.03 99.04 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.253 1.388 . . . . 0.0 108.493 176.743 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.1 -44.13 97.83 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.825 -1.172 . . . . 0.0 109.499 176.625 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.47 -37.43 85.92 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 179.016 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.01 -50.31 71.24 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.149 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.84 -47.69 79.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.118 0.967 . . . . 0.0 110.792 178.053 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.35 -38.36 74.03 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 111.439 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -54.2 17.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.704 0.801 . . . . 0.0 109.984 176.859 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -57.73 -28.85 64.25 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.911 1.684 . . . . 0.0 113.222 179.088 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.25 -44.9 93.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.7 1.2 . . . . 0.0 109.091 176.583 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.57 -43.55 69.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.625 1.17 . . . . 0.0 108.972 177.532 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -58.75 -43.12 90.18 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.404 -0.81 . . . . 0.0 110.021 177.729 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.4 -53.56 54.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.793 1.637 . . . . 0.0 111.168 177.803 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -72.13 -23.5 61.32 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -177.326 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.97 -25.17 6.26 Favored Glycine 0 N--CA 1.474 1.172 0 N-CA-C 117.617 1.807 . . . . 0.0 117.617 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 m -137.77 -23.5 1.06 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.412 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.7 -54.32 3.3 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-N 120.234 1.379 . . . . 0.0 114.09 -178.709 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.6 p -53.16 -43.72 95.54 Favored Pre-proline 0 N--CA 1.481 1.091 0 CA-C-O 116.296 -1.812 . . . . 0.0 114.804 178.903 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.33 -9.05 18.85 Favored 'Trans proline' 0 CA--C 1.562 1.921 0 C-N-CA 122.637 2.224 . . . . 0.0 113.064 177.695 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.033 0 O-C-N 118.583 -2.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p -59.56 -60.5 3.75 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.763 1.625 . . . . 0.0 115.012 -177.576 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -129.24 157.84 40.72 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.251 -0.906 . . . . 0.0 111.247 178.291 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -55.75 -54.0 49.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.788 1.235 . . . . 0.0 113.773 -177.52 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -54.0 -53.44 52.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.59 1.156 . . . . 0.0 112.375 -178.338 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.7 p -65.36 -29.71 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 119.179 -0.439 . . . . 0.0 111.757 176.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.68 -39.84 95.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.866 0.757 . . . . 0.0 111.186 177.228 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.48 -45.84 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.591 1.087 . . . . 0.0 109.439 177.391 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.43 -41.08 88.75 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.443 1.097 . . . . 0.0 111.12 176.751 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.8 89.04 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.171 1.367 . . . . 0.0 110.393 178.339 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -59.86 -49.45 77.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.787 177.178 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.38 -43.58 75.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.507 0.723 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -62.52 -41.18 98.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.624 0.77 . . . . 0.0 111.641 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -67.9 -42.69 80.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.555 1.142 . . . . 0.0 110.676 177.794 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.3 -36.92 85.68 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.007 -1.058 . . . . 0.0 109.079 176.939 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.46 -41.55 93.26 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.562 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -62.89 -34.6 77.74 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.888 -1.757 . . . . 0.0 109.895 177.093 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.78 -45.64 81.7 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 119.491 -2.006 . . . . 0.0 106.967 176.883 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.56 -41.12 89.43 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.244 1.384 . . . . 0.0 109.865 177.077 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.2 -37.87 88.93 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.457 1.026 . . . . 0.0 110.606 176.294 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -65.51 -49.89 67.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.237 -1.539 . . . . 0.0 109.658 176.118 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -56.54 -42.34 78.31 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.19 0.996 . . . . 0.0 109.582 178.001 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.4 -39.64 92.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.244 1.418 . . . . 0.0 107.365 -178.025 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -47.66 75.88 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 119.384 0.993 . . . . 0.0 109.464 177.377 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -59.31 -45.95 89.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.78 0.832 . . . . 0.0 109.493 178.135 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.26 -57.15 14.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.741 1.616 . . . . 0.0 112.095 177.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -69.08 -25.9 64.67 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -177.872 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.33 7.5 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 115.866 1.106 . . . . 0.0 115.866 -177.435 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -134.18 -40.51 0.83 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -176.944 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.84 -31.8 64.41 Favored Glycine 0 N--CA 1.477 1.425 0 CA-C-O 118.907 -0.941 . . . . 0.0 115.426 -177.787 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 p -79.3 -47.32 1.59 Allowed Pre-proline 0 N--CA 1.473 0.721 0 CA-C-O 115.714 -2.089 . . . . 0.0 112.325 178.025 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -64.03 -32.18 65.0 Favored 'Trans proline' 0 CA--C 1.555 1.531 0 C-N-CA 122.471 2.114 . . . . 0.0 112.701 176.153 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.814 0 CA-C-N 120.355 1.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -60.83 -46.22 91.41 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -177.104 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -148.3 174.02 12.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.012 0.925 . . . . 0.0 111.221 177.474 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.19 -49.21 77.82 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.391 -0.818 . . . . 0.0 111.613 -177.527 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -60.56 -45.39 94.09 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.809 1.244 . . . . 0.0 111.336 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -66.15 -31.17 71.86 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.166 0.893 . . . . 0.0 111.257 177.011 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -46.61 68.61 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.537 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.61 -52.14 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 117.889 -1.053 . . . . 0.0 109.888 178.393 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.93 -40.46 76.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 120.004 1.275 . . . . 0.0 110.784 177.986 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -50.08 62.99 Favored Glycine 0 CA--C 1.554 2.484 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.18 -51.51 69.27 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.03 177.495 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -52.62 -46.0 66.84 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.431 1.469 . . . . 0.0 111.152 178.565 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -63.13 -41.12 99.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.887 . . . . 0.0 111.134 177.308 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.98 -40.67 91.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.217 1.007 . . . . 0.0 110.721 177.224 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 9.3 mm-40 -65.03 -43.64 91.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.328 1.051 . . . . 0.0 108.909 177.389 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.99 -42.73 94.86 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.33 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.42 -40.04 92.96 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 124.299 1.039 . . . . 0.0 109.741 177.314 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 88.6 mttt -61.59 -42.66 99.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 117.817 -1.087 . . . . 0.0 108.608 177.527 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.29 -43.03 92.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.966 0.803 . . . . 0.0 109.823 177.904 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -55.39 -51.05 68.09 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -64.74 -47.19 79.13 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.153 0.981 . . . . 0.0 109.354 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -54.4 -44.08 72.03 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.348 1.059 . . . . 0.0 111.83 177.719 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.05 -50.21 74.94 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.154 0.982 . . . . 0.0 109.386 178.32 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.79 98.24 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.877 0.471 . . . . 0.0 112.057 177.969 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -62.57 -37.93 88.11 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.289 -0.882 . . . . 0.0 110.354 177.078 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -64.39 -48.4 75.57 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.952 -1.717 . . . . 0.0 112.445 178.0 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -76.42 -31.81 58.13 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.34 1.427 . . . . 0.0 113.826 177.992 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -7.97 54.69 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 118.051 1.98 . . . . 0.0 118.051 -176.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -146.4 -36.74 0.25 Allowed 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 178.381 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.91 -61.68 3.01 Favored Glycine 0 N--CA 1.467 0.725 0 CA-C-N 119.281 0.946 . . . . 0.0 113.988 -178.705 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.7 p -70.08 -37.04 6.9 Favored Pre-proline 0 N--CA 1.479 0.988 0 CA-C-O 116.096 -1.907 . . . . 0.0 115.157 -176.767 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -63.68 -28.92 69.17 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 CA-C-N 123.735 2.37 . . . . 0.0 113.761 177.291 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.24 0 CA-C-N 120.052 1.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 118.166 -0.921 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 p -61.1 -35.78 77.92 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -178.898 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -159.51 172.18 18.34 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.924 1.29 . . . . 0.0 110.98 178.883 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.24 -42.65 91.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 179.903 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -61.22 -45.57 94.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.877 177.509 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -65.38 -28.59 69.37 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.91 1.686 . . . . 0.0 110.248 177.457 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -43.93 70.17 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.609 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.86 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 120.042 1.292 . . . . 0.0 108.085 177.535 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.8 -43.33 94.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.734 1.614 . . . . 0.0 108.203 178.05 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -44.92 92.39 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 178.308 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -58.35 -53.62 56.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.09 -1.433 . . . . 0.0 110.033 176.864 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -53.77 -46.7 71.05 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.211 1.368 . . . . 0.0 110.946 176.807 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.6 m -62.0 -36.79 82.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.404 178.163 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -75.76 -29.27 58.77 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -69.55 -36.82 76.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 177.298 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.45 -39.68 85.36 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 176.484 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -66.02 -35.27 80.09 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.55 1.068 . . . . 0.0 108.823 176.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -65.04 -41.78 94.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 -179.189 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.92 -42.09 88.86 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 177.958 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -61.37 -47.92 83.63 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.586 -1.321 . . . . 0.0 108.645 -179.422 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.0 m -60.99 -48.83 79.99 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 124.85 1.26 . . . . 0.0 110.759 176.233 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -61.22 -42.95 99.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.565 1.546 . . . . 0.0 110.894 178.168 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.6 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.294 1.406 . . . . 0.0 109.024 177.416 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.1 87.64 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.051 0.841 . . . . 0.0 109.909 177.649 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.1 m -66.94 -47.05 72.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.195 0.998 . . . . 0.0 110.149 177.506 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.05 -55.41 35.44 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.718 2.807 . . . . 0.0 111.972 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -70.77 -36.66 73.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.8 -40.77 8.59 Favored Glycine 0 CA--C 1.554 2.473 0 N-CA-C 120.043 2.777 . . . . 0.0 120.043 179.243 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.2 m -125.38 -22.81 4.25 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -177.181 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.16 -3.6 65.27 Favored Glycine 0 CA--C 1.551 2.325 0 N-CA-C 119.159 2.424 . . . . 0.0 119.159 -177.583 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.2 p -134.85 -40.07 0.02 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 CA-C-O 114.601 -2.619 . . . . 0.0 116.766 178.469 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.85 -37.4 93.96 Favored 'Trans proline' 0 CA--C 1.558 1.706 0 CA-C-N 123.102 2.144 . . . . 0.0 113.868 179.316 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.395 0 CA-C-N 119.988 1.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 p -56.98 -44.14 82.39 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -177.147 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -153.97 175.82 12.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.85 1.26 . . . . 0.0 111.334 178.788 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.15 -49.73 76.48 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.274 0.63 . . . . 0.0 112.588 -178.362 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -56.55 -47.69 78.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.88 1.272 . . . . 0.0 111.736 178.328 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.8 p -65.15 -32.65 74.45 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.056 178.366 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -40.91 85.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.801 0.84 . . . . 0.0 109.915 177.193 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.71 -50.67 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.2 1.4 . . . . 0.0 108.159 177.71 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.86 -51.38 63.81 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.627 1.571 . . . . 0.0 110.803 177.268 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.96 98.69 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 117.944 -1.476 . . . . 0.0 112.682 178.216 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.29 -43.6 97.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 116.46 -1.733 . . . . 0.0 110.987 177.039 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.92 -39.57 81.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 117.236 -1.364 . . . . 0.0 107.892 178.355 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.9 m -66.79 -35.91 81.17 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 116.053 -1.927 . . . . 0.0 107.534 -177.664 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -71.97 -33.11 67.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.475 1.489 . . . . 0.0 110.405 177.575 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -68.91 -38.58 79.68 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.051 1.751 . . . . 0.0 106.616 177.697 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.7 mt -66.9 -36.35 82.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.192 1.397 . . . . 0.0 108.014 177.642 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -65.52 -40.24 92.72 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.124 -1.61 . . . . 0.0 108.048 179.066 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.91 -45.25 94.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.227 177.188 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.29 -40.39 81.81 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.239 1.016 . . . . 0.0 109.753 176.856 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -65.2 -40.27 93.96 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.601 1.091 . . . . 0.0 108.21 178.07 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -64.12 -46.21 85.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.06 -1.025 . . . . 0.0 108.804 178.103 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -57.9 -43.84 86.4 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.577 1.08 . . . . 0.0 110.87 177.658 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.82 -39.43 94.27 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.3 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.49 83.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.644 1.111 . . . . 0.0 109.599 177.066 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.3 m -66.54 -41.59 88.49 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.679 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.51 -52.86 61.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.389 1.076 . . . . 0.0 113.092 178.003 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.3 p -65.54 -43.66 89.23 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -179.34 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.55 -24.47 12.21 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.992 1.957 . . . . 0.0 117.992 -177.578 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -123.67 -14.67 7.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 118.188 2.662 . . . . 0.0 118.188 -178.971 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.22 -34.51 2.51 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 120.009 2.763 . . . . 0.0 120.009 177.693 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -89.78 -27.41 0.32 Allowed Pre-proline 0 CA--C 1.553 1.063 0 N-CA-C 119.414 3.116 . . . . 0.0 119.414 179.532 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -66.24 -19.7 56.22 Favored 'Trans proline' 0 CA--C 1.553 1.425 0 C-N-CA 123.402 2.735 . . . . 0.0 114.42 175.548 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.378 1.811 0 CA-C-N 121.659 2.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 118.178 -0.915 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -64.09 -45.34 89.14 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -176.116 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -150.18 173.18 14.21 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.72 -1.237 . . . . 0.0 110.779 177.561 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.54 -48.96 76.18 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.072 0.851 . . . . 0.0 113.032 -178.129 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -56.98 -49.53 75.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.666 1.187 . . . . 0.0 112.196 177.795 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -67.34 -31.26 71.41 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.744 0.702 . . . . 0.0 110.561 177.449 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -38.23 86.7 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.981 0.81 . . . . 0.0 110.136 176.632 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.11 -44.99 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.904 1.229 . . . . 0.0 109.25 176.552 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.62 -44.75 93.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.347 0.659 . . . . 0.0 110.776 177.508 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -50.41 66.4 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.726 1.155 . . . . 0.0 111.248 176.311 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.69 -47.42 84.58 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.727 1.211 . . . . 0.0 110.516 176.816 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.6 -50.97 64.5 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.883 1.22 . . . . 0.0 109.455 177.618 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.6 m -64.96 -34.33 78.16 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.717 178.619 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -71.7 -35.01 70.11 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.163 1.347 . . . . 0.0 110.36 176.906 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 62.3 mm-40 -68.94 -39.29 79.65 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.234 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.58 -34.7 78.86 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.719 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -62.77 -46.22 89.02 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.494 -1.379 . . . . 0.0 108.393 175.847 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 94.0 mttt -59.03 -47.72 84.2 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.807 0.843 . . . . 0.0 109.127 176.803 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.61 -46.74 77.29 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 117.538 -1.22 . . . . 0.0 109.997 177.369 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.43 -38.01 88.08 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.211 0.914 . . . . 0.0 110.213 177.206 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -62.92 -47.38 83.5 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.895 1.225 . . . . 0.0 109.71 178.067 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -60.95 -52.23 65.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.02 0.928 . . . . 0.0 111.219 177.444 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -60.48 -43.03 97.38 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.857 1.263 . . . . 0.0 112.502 179.348 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.66 99.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.802 0.841 . . . . 0.0 110.402 177.429 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -65.47 -45.0 85.42 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.847 0.459 . . . . 0.0 110.651 177.115 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.0 -49.51 75.76 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 112.833 178.272 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.6 p -72.35 -45.55 59.4 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.338 1.055 . . . . 0.0 112.873 179.098 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.5 -16.55 80.19 Favored Glycine 0 CA--C 1.544 1.854 0 N-CA-C 116.31 1.284 . . . . 0.0 116.31 -177.548 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 m -153.69 -37.71 0.1 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 178.199 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.39 -16.62 63.04 Favored Glycine 0 CA--C 1.543 1.819 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 -177.507 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.8 p -110.66 -45.09 0.09 OUTLIER Pre-proline 0 CA--C 1.553 1.068 0 CA-C-O 116.563 -1.684 . . . . 0.0 112.648 179.665 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.78 -14.95 40.12 Favored 'Trans proline' 0 CA--C 1.56 1.815 0 C-N-CA 123.033 2.489 . . . . 0.0 113.172 179.83 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.056 0 CA-C-N 120.295 1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -61.41 -56.85 15.63 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -177.325 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -140.95 174.21 10.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.786 1.234 . . . . 0.0 111.216 177.654 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.37 -48.88 79.95 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.256 -0.902 . . . . 0.0 112.933 -177.522 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -58.06 -47.91 81.73 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.618 -0.706 . . . . 0.0 111.686 177.265 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -66.04 -28.1 68.6 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.695 1.134 . . . . 0.0 110.754 177.026 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -41.99 79.12 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.168 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.94 -41.59 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 177.272 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.07 -41.01 97.71 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.469 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.0 -47.02 92.21 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 107.611 -2.196 . . . . 0.0 107.611 178.618 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.41 -42.96 99.57 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 116.68 -1.628 . . . . 0.0 108.581 178.965 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.48 -44.78 95.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.859 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.42 -36.19 81.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.916 -0.564 . . . . 0.0 110.857 176.873 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.1 -39.62 78.87 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.797 1.239 . . . . 0.0 109.353 176.734 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.48 -39.4 85.23 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 179.352 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.26 -43.93 95.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.375 1.07 . . . . 0.0 109.418 175.48 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.49 -39.59 93.95 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.474 1.109 . . . . 0.0 110.664 177.138 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -61.72 -43.7 98.34 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.954 -1.091 . . . . 0.0 109.126 176.821 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.11 -47.86 81.95 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.783 0.72 . . . . 0.0 109.73 177.379 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.52 -40.47 87.24 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.583 0.629 . . . . 0.0 111.331 177.227 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -64.58 -48.16 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.037 1.335 . . . . 0.0 111.123 178.093 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -59.13 -52.07 67.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.514 1.126 . . . . 0.0 109.785 177.276 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.65 -54.41 41.99 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.948 1.299 . . . . 0.0 112.277 178.815 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.47 70.49 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 178.04 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.6 m -70.42 -39.82 74.18 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.552 -0.717 . . . . 0.0 110.438 177.394 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.79 -45.57 74.41 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.07 1.348 . . . . 0.0 112.905 179.819 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.9 p -71.8 -20.54 61.84 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.359 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.82 -72.7 1.19 Allowed Glycine 0 CA--C 1.551 2.305 0 C-N-CA 124.324 0.964 . . . . 0.0 113.11 178.615 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -97.64 -19.72 18.1 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.4 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.14 -23.26 59.43 Favored Glycine 0 N--CA 1.478 1.48 0 N-CA-C 117.811 1.884 . . . . 0.0 117.811 -177.183 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -49.8 0.21 Allowed Pre-proline 0 CA--C 1.555 1.171 0 CA-C-O 115.941 -1.98 . . . . 0.0 115.485 -177.566 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -65.53 -19.96 60.56 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.355 2.037 . . . . 0.0 115.92 -178.931 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.325 0 CA-C-N 119.645 1.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 p -73.71 -41.73 62.17 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -177.758 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -152.25 176.88 11.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.272 1.429 . . . . 0.0 110.766 -177.36 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.9 -51.39 67.78 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.68 -179.754 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -55.15 -49.93 70.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 112.028 -179.224 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -64.53 -31.17 72.27 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.874 0.761 . . . . 0.0 110.635 178.683 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -39.0 84.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.278 -0.889 . . . . 0.0 109.783 176.88 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 t -64.3 -47.16 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 119.622 1.101 . . . . 0.0 108.662 177.37 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.43 -41.6 76.68 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.521 1.128 . . . . 0.0 112.31 177.023 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.75 48.22 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.09 0.852 . . . . 0.0 111.502 176.519 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.93 -44.62 87.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.498 1.119 . . . . 0.0 111.142 177.842 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.38 -46.24 91.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.541 0.737 . . . . 0.0 109.487 177.374 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 m -58.27 -38.07 76.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.762 0.825 . . . . 0.0 110.906 177.379 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -66.98 -42.51 84.96 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.498 0.719 . . . . 0.0 109.734 177.87 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.22 -39.66 94.44 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.772 -1.205 . . . . 0.0 109.577 177.497 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.05 -43.99 94.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.082 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.74 -41.3 99.12 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.972 178.994 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.55 -46.69 88.17 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.748 1.158 . . . . 0.0 110.294 177.132 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.98 -43.33 86.45 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 110.94 176.288 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.18 -41.21 99.17 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.404 0.682 . . . . 0.0 110.969 177.354 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -64.13 -45.15 89.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.936 0.789 . . . . 0.0 110.736 176.752 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -60.32 -51.42 69.59 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 123.18 0.592 . . . . 0.0 110.382 177.26 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.9 mt -59.13 -44.63 92.04 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.017 1.327 . . . . 0.0 112.84 178.656 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.99 87.72 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 118.858 0.754 . . . . 0.0 110.92 176.758 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 m -72.67 -33.13 66.34 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.095 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.47 -44.04 92.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.09 1.356 . . . . 0.0 111.621 176.915 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -76.61 -34.79 58.35 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.715 0.688 . . . . 0.0 111.582 177.727 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.58 -25.21 59.13 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 115.455 0.942 . . . . 0.0 115.455 -179.174 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -152.11 -37.73 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.92 1.86 . . . . 0.0 114.379 -178.726 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.88 -31.54 72.33 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 -176.865 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.7 p -102.32 -41.9 0.2 Allowed Pre-proline 0 N--CA 1.483 1.201 0 CA-C-O 116.384 -1.77 . . . . 0.0 112.758 178.802 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -69.83 -6.2 18.06 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.766 2.31 . . . . 0.0 114.326 178.236 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 120.198 1.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 117.858 -1.068 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -72.67 -28.66 62.84 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 116.577 2.065 . . . . 0.0 116.577 -177.247 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -161.71 175.91 11.5 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.219 1.807 . . . . 0.0 110.066 175.583 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.56 -49.07 77.58 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.407 -0.808 . . . . 0.0 112.957 178.735 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -57.64 -48.21 80.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.661 0.784 . . . . 0.0 110.974 178.505 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -65.1 -29.54 70.41 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.723 177.72 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.64 78.59 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 119.992 1.269 . . . . 0.0 109.106 177.339 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.6 -42.11 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.747 -1.221 . . . . 0.0 108.479 176.781 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.24 -40.64 94.77 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.985 -1.072 . . . . 0.0 109.268 176.81 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.33 98.15 Favored Glycine 0 CA--C 1.541 1.658 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 177.115 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -47.42 84.79 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.951 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.8 -44.5 90.8 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.226 1.01 . . . . 0.0 110.559 176.939 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -56.9 -44.85 82.78 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.145 0.978 . . . . 0.0 111.723 175.515 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.05 -49.46 74.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.291 1.436 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 55.7 mm-40 -61.47 -42.41 98.74 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.227 0.921 . . . . 0.0 110.553 177.062 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.61 -38.55 88.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -65.71 -41.48 92.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -178.561 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 93.2 mttt -59.65 -51.85 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 119.127 0.876 . . . . 0.0 109.009 176.377 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.74 -47.6 79.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.739 0.816 . . . . 0.0 110.677 177.209 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -60.72 -37.41 81.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.315 1.046 . . . . 0.0 110.944 177.345 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -67.16 -47.73 70.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.487 1.515 . . . . 0.0 109.343 177.284 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -60.47 -44.9 95.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.413 -0.804 . . . . 0.0 109.822 177.436 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -58.92 -52.67 64.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.966 1.306 . . . . 0.0 110.472 177.161 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.36 78.44 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.98 0.895 . . . . 0.0 112.68 177.434 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -67.92 -38.65 83.16 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 176.672 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.18 -42.0 80.62 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.283 -1.511 . . . . 0.0 111.501 178.056 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -72.16 -36.13 69.21 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.958 1.254 . . . . 0.0 113.319 178.057 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.81 -16.45 51.63 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.199 1.64 . . . . 0.0 117.199 -179.134 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -139.48 -48.87 0.48 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.079 1.352 . . . . 0.0 114.644 178.525 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.27 -42.94 74.89 Favored Glycine 0 N--CA 1.47 0.941 0 N-CA-C 117.774 1.87 . . . . 0.0 117.774 -177.987 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 p -92.28 -43.9 0.35 Allowed Pre-proline 0 N--CA 1.489 1.516 0 CA-C-O 116.663 -1.637 . . . . 0.0 114.361 177.949 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -60.17 -26.03 81.48 Favored 'Trans proline' 0 CA--C 1.57 2.31 0 C-N-CA 123.716 2.944 . . . . 0.0 115.85 175.895 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 120.561 -1.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -70.64 -26.17 63.34 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -176.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -161.48 177.04 10.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.036 1.735 . . . . 0.0 110.169 176.976 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.83 -44.75 93.88 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.273 -0.892 . . . . 0.0 112.269 179.299 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -62.08 -45.52 93.16 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.167 0.894 . . . . 0.0 111.213 177.431 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.5 p -63.61 -28.91 70.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.678 1.581 . . . . 0.0 110.683 177.107 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.62 71.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.144 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.75 -45.15 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.627 1.171 . . . . 0.0 108.527 177.04 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -41.93 97.46 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.831 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.8 97.68 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 124.764 1.173 . . . . 0.0 110.421 178.308 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.16 -45.61 87.67 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 176.577 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.78 -38.95 79.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.709 176.851 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 m -60.17 -40.2 89.08 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 120.284 1.402 . . . . 0.0 110.149 176.934 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -69.32 -39.62 78.11 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.006 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.93 -37.93 86.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.584 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.73 -42.14 98.57 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 176.82 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -63.19 -38.66 92.04 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.79 -0.569 . . . . 0.0 109.712 177.092 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.86 -45.02 87.81 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.254 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.75 -45.3 86.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.316 1.446 . . . . 0.0 109.629 177.415 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.7 -35.69 80.53 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.028 0.831 . . . . 0.0 110.467 176.691 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -66.49 -46.31 76.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.745 1.218 . . . . 0.0 110.051 176.975 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -62.14 -44.19 97.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.867 0.867 . . . . 0.0 109.411 177.314 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.34 -48.39 81.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.488 1.515 . . . . 0.0 111.569 177.098 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.78 93.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.861 0.864 . . . . 0.0 111.117 176.867 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -60.01 -47.32 86.34 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.122 0.969 . . . . 0.0 110.297 177.289 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.34 -49.22 67.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.491 1.516 . . . . 0.0 113.218 -178.344 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.77 -34.86 76.28 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.933 1.293 . . . . 0.0 113.457 179.675 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.39 -21.03 28.09 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 179.294 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -146.31 -26.39 0.43 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -177.556 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.89 -24.36 58.1 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -178.568 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 p -93.07 -35.02 0.33 Allowed Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 179.871 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -55.25 -26.57 52.5 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 122.839 2.36 . . . . 0.0 116.103 -179.933 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.11 0 CA-C-N 119.268 0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -79.99 -27.64 39.6 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 -178.364 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -161.52 178.93 8.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.885 1.674 . . . . 0.0 110.856 -178.398 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt -52.78 -51.79 59.32 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.267 1.027 . . . . 0.0 111.935 178.158 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -57.87 -50.09 74.5 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.853 -178.413 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.4 p -63.12 -31.98 73.25 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 119.513 1.051 . . . . 0.0 110.994 178.265 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -38.87 74.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.048 -1.658 . . . . 0.0 110.292 178.076 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.17 -45.94 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 115.835 -2.031 . . . . 0.0 108.514 177.584 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.53 -32.14 73.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 126.571 2.42 . . . . 0.0 109.941 177.821 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.05 -44.61 76.86 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 178.772 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.85 -43.11 99.5 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.298 1.039 . . . . 0.0 109.105 177.744 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -44.98 89.12 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.96 -34.45 76.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.721 -0.612 . . . . 0.0 112.159 177.171 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.5 -49.45 71.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.611 1.164 . . . . 0.0 110.438 177.565 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -64.79 -40.37 95.12 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 117.597 -1.192 . . . . 0.0 109.514 177.844 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.06 -39.66 90.69 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.989 0.813 . . . . 0.0 110.901 177.251 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.88 -38.47 91.01 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.895 0.77 . . . . 0.0 109.804 178.882 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 118.254 -0.879 . . . . 0.0 108.781 176.949 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.61 -35.22 77.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 115.712 -2.089 . . . . 0.0 110.555 178.069 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -63.9 -43.85 94.75 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 119.584 1.083 . . . . 0.0 109.287 178.224 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.3 m -69.29 -40.76 77.52 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.127 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.5 -55.43 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.196 1.398 . . . . 0.0 110.112 177.127 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.71 -47.11 83.33 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.925 1.69 . . . . 0.0 112.596 177.659 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.96 89.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.593 0.757 . . . . 0.0 111.825 177.345 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 m -66.65 -47.51 72.3 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.544 0.688 . . . . 0.0 111.018 177.54 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.04 -53.54 57.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.968 1.707 . . . . 0.0 114.53 -179.477 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -65.92 -14.84 62.27 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -177.931 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.65 -65.33 0.45 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.944 0.783 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -87.71 -30.89 20.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 119.741 -2.035 . . . . 0.0 112.953 -177.47 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.13 -9.34 85.3 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.501 1.76 . . . . 0.0 117.501 -176.985 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.66 -50.16 0.29 Allowed Pre-proline 0 N--CA 1.474 0.752 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -178.01 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.89 -26.32 80.42 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.148 2.566 . . . . 0.0 118.365 -178.507 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.179 0 CA-C-N 119.197 0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 p -87.02 -36.69 18.07 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -175.724 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -150.59 176.18 11.22 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.39 1.476 . . . . 0.0 111.291 178.362 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt -53.73 -51.13 64.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.928 0.491 . . . . 0.0 111.151 -178.835 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -60.6 -45.84 92.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.012 -178.888 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p -64.28 -30.78 71.82 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.315 1.416 . . . . 0.0 111.54 176.913 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -44.71 81.38 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.436 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.1 -44.45 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 -176.947 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.06 -42.95 95.61 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.866 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.45 85.71 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 118.307 -1.274 . . . . 0.0 111.48 177.67 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -67.7 -39.08 84.4 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.202 1.501 . . . . 0.0 109.355 177.313 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.32 -47.92 83.71 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.815 -1.179 . . . . 0.0 107.815 178.066 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.7 m -59.07 -40.53 85.49 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.226 1.01 . . . . 0.0 109.821 176.809 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.21 -47.26 83.27 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 125.605 1.562 . . . . 0.0 111.198 178.916 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.94 -36.33 84.03 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.064 0.847 . . . . 0.0 109.358 177.689 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.15 -32.69 74.29 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.882 -1.761 . . . . 0.0 110.292 175.799 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.7 -43.76 71.77 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 119.348 -2.095 . . . . 0.0 108.63 175.985 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -58.44 -47.75 82.98 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 105.677 -1.971 . . . . 0.0 105.677 179.025 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.08 -47.51 80.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.342 179.076 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -55.6 -44.13 76.71 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.991 0.814 . . . . 0.0 109.737 177.04 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -66.72 -39.5 88.02 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 119.928 1.24 . . . . 0.0 107.985 -177.311 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -64.6 -43.68 93.0 Favored 'General case' 0 CA--C 1.566 1.567 0 O-C-N 120.691 -1.256 . . . . 0.0 109.383 177.608 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.78 -38.42 90.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.689 1.196 . . . . 0.0 110.738 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.72 87.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.914 1.286 . . . . 0.0 111.677 177.275 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.875 -1.141 . . . . 0.0 109.885 177.11 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.94 -54.24 20.19 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.097 0.959 . . . . 0.0 112.469 177.207 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -71.14 -5.78 34.28 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.329 1.852 . . . . 0.0 114.299 -177.819 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.81 -41.98 0.89 Allowed Glycine 0 C--N 1.347 1.142 0 C-N-CA 124.247 0.927 . . . . 0.0 114.358 176.07 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 m -120.92 -44.66 2.41 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.871 -1.37 . . . . 0.0 113.738 -178.233 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.14 24.86 0.7 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 119.842 2.697 . . . . 0.0 119.842 179.493 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.85 -48.26 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.165 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -178.153 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.9 -8.94 17.17 Favored 'Trans proline' 0 CA--C 1.559 1.747 0 C-N-CA 123.137 2.558 . . . . 0.0 117.84 -179.457 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.332 0 CA-C-N 119.843 1.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -67.73 -30.41 69.89 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -177.251 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -161.54 179.32 8.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.57 1.148 . . . . 0.0 110.739 -178.941 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.24 -50.97 63.66 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.873 1.269 . . . . 0.0 111.913 177.386 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -58.99 -48.17 82.54 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.406 1.083 . . . . 0.0 113.157 179.707 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.2 p -63.79 -34.97 79.09 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.814 1.188 . . . . 0.0 110.798 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -43.91 82.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.867 0.758 . . . . 0.0 109.939 177.077 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.92 -44.84 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.064 1.345 . . . . 0.0 108.868 177.587 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 mt -57.16 -43.54 82.64 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 0.0 108.873 177.697 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.95 95.12 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 177.262 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.5 -42.12 96.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.049 0.94 . . . . 0.0 110.379 177.732 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.473 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -59.17 -39.34 82.2 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.747 1.158 . . . . 0.0 109.915 176.493 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -66.04 -48.82 69.82 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.511 1.525 . . . . 0.0 108.806 179.894 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.53 -47.26 84.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.602 1.092 . . . . 0.0 108.712 177.84 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.85 -41.72 87.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.623 1.169 . . . . 0.0 108.556 177.581 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.41 -37.29 84.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.229 0.922 . . . . 0.0 109.532 -179.259 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.84 -46.0 92.3 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.936 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.36 -45.45 88.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.023 0.929 . . . . 0.0 109.493 176.621 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -56.02 -45.62 79.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.56 1.073 . . . . 0.0 109.365 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -65.55 -44.01 88.11 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -176.807 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.81 -47.92 82.94 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.785 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.49 -51.86 67.74 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.284 1.434 . . . . 0.0 110.634 177.1 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.82 79.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.858 1.263 . . . . 0.0 112.798 177.482 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.4 m -67.67 -40.09 84.49 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 177.486 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -68.93 -46.68 67.64 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.17 -0.956 . . . . 0.0 112.508 178.967 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 p -69.72 -40.15 76.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.077 0.853 . . . . 0.0 112.304 177.927 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.89 -33.66 23.55 Favored Glycine 0 N--CA 1.48 1.58 0 N-CA-C 118.013 1.965 . . . . 0.0 118.013 -179.157 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -129.39 -20.41 3.32 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -177.832 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.92 -53.36 3.99 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 120.133 -1.604 . . . . 0.0 116.408 178.902 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.0 p -66.53 -32.3 5.11 Favored Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 118.604 2.816 . . . . 0.0 118.604 -179.977 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.15 -11.2 23.93 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.404 2.736 . . . . 0.0 116.171 176.72 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.594 0 CA-C-N 119.802 1.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p -60.03 -33.02 71.44 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -179.017 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -158.39 177.02 11.71 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.275 1.43 . . . . 0.0 110.819 177.413 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.92 -49.7 72.75 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.247 0.619 . . . . 0.0 112.41 178.865 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -57.66 -49.69 75.65 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.895 178.279 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p -63.79 -27.69 69.35 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.928 1.24 . . . . 0.0 111.161 177.182 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -42.11 80.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.977 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.32 -48.62 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.165 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.34 -44.2 75.71 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.606 0.763 . . . . 0.0 110.85 177.622 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.41 -45.76 92.6 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 123.919 0.771 . . . . 0.0 111.402 176.851 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -61.34 -45.63 93.6 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 123.479 0.712 . . . . 0.0 109.756 176.292 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.0 mt -56.68 -38.42 72.22 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.002 0.819 . . . . 0.0 109.683 178.753 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -65.62 -37.75 87.46 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.281 -0.887 . . . . 0.0 109.399 178.645 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.51 -44.83 77.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.999 -1.063 . . . . 0.0 110.424 176.244 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 25.1 mm-40 -60.07 -38.24 82.26 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.47 1.032 . . . . 0.0 110.341 176.371 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.4 -38.49 84.73 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.712 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.07 -38.68 91.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.084 0.856 . . . . 0.0 109.177 177.883 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 93.4 mttt -60.58 -42.83 97.48 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.846 -1.074 . . . . 0.0 108.104 176.563 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.62 -42.03 91.75 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 124.376 1.048 . . . . 0.0 109.21 177.366 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -62.21 -42.27 99.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.012 0.824 . . . . 0.0 109.38 178.428 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -66.09 -43.94 85.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.959 0.904 . . . . 0.0 110.267 177.595 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.7 -46.61 89.71 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.415 1.086 . . . . 0.0 109.824 177.395 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.54 -55.72 31.22 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.561 1.544 . . . . 0.0 110.323 177.841 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.01 73.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.221 1.009 . . . . 0.0 112.045 177.327 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 m -63.97 -46.43 84.65 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.53 -0.732 . . . . 0.0 109.997 177.456 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -62.85 -45.1 94.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.518 1.927 . . . . 0.0 113.814 -179.326 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 p -76.85 -34.66 57.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.861 1.265 . . . . 0.0 112.551 -178.568 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.32 -20.99 18.58 Favored Glycine 0 CA--C 1.547 2.063 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -176.011 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -136.38 -43.69 0.62 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -179.075 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.83 -44.53 96.97 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 125.104 1.335 . . . . 0.0 113.837 -177.235 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.25 43.5 p -92.6 -43.38 0.35 Allowed Pre-proline 0 N--CA 1.483 1.198 0 CA-C-O 115.639 -2.124 . . . . 0.0 114.12 179.125 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -77.84 -3.58 13.66 Favored 'Trans proline' 0 CA--C 1.571 2.371 0 C-N-CA 123.8 3.0 . . . . 0.0 114.901 177.887 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.579 0 CA-C-N 121.053 1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 p -78.98 -31.99 45.13 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -178.05 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -156.67 179.65 9.06 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.818 1.647 . . . . 0.0 110.973 177.885 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -45.07 91.88 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.248 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -60.99 -46.73 89.58 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 117.134 -1.412 . . . . 0.0 111.464 177.284 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.0 -22.53 66.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.011 1.278 . . . . 0.0 110.742 177.045 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -37.94 64.5 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.762 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.47 -48.34 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.205 -1.559 . . . . 0.0 107.087 177.105 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.14 -48.06 79.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.246 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.78 -42.1 96.3 Favored Glycine 0 C--O 1.214 -1.148 0 O-C-N 121.313 -0.867 . . . . 0.0 112.166 179.421 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -58.14 -52.12 66.87 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 119.49 1.645 . . . . 0.0 108.242 173.483 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.46 -39.18 79.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -178.698 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -63.65 -38.6 91.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 119.89 -1.756 . . . . 0.0 108.809 -179.628 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.36 -48.54 67.17 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.581 177.376 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 9.1 mm-40 -57.02 -40.34 76.48 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.299 0.954 . . . . 0.0 109.845 177.773 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.1 mt -67.5 -41.48 84.43 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -178.777 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -65.86 -35.77 81.58 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.953 1.251 . . . . 0.0 111.194 177.031 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 89.8 mttt -60.59 -49.66 76.65 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 176.834 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.24 -38.48 80.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.676 177.351 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.71 -35.18 80.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.15 1.341 . . . . 0.0 110.078 178.061 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -72.35 -39.17 68.3 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.131 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -66.41 -37.13 84.53 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.872 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.48 -37.77 88.69 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 116.609 -1.662 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.22 78.79 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.503 1.047 . . . . 0.0 110.179 176.988 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 m -69.3 -46.02 68.16 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 177.312 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.9 -43.98 97.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.249 2.22 . . . . 0.0 113.465 179.987 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.6 p -83.91 -42.41 16.36 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.5 -24.57 56.19 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.43 -175.888 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -129.68 -44.45 1.21 Allowed 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.66 1.73 . . . . 0.0 111.81 179.703 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.86 -61.5 7.38 Favored Glycine 0 CA--C 1.544 1.864 0 CA-C-N 118.839 0.745 . . . . 0.0 113.667 -177.7 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.8 m -56.03 -52.75 70.1 Favored Pre-proline 0 N--CA 1.491 1.615 0 C-N-CA 125.923 1.689 . . . . 0.0 114.391 -177.212 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.7 -28.67 86.91 Favored 'Trans proline' 0 CA--C 1.572 2.407 0 C-N-CA 122.186 1.924 . . . . 0.0 115.19 177.627 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.662 0 CA-C-N 121.092 1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 118.254 -0.879 . . . . 0.0 108.658 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 p -67.09 -35.24 79.37 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -178.478 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -160.41 -179.1 7.39 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.224 1.409 . . . . 0.0 111.997 179.697 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 tp -51.68 -52.59 46.96 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.327 1.451 . . . . 0.0 112.497 178.037 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -58.4 -48.04 81.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.943 0.897 . . . . 0.0 112.044 179.32 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.9 p -65.79 -31.34 72.26 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 119.099 0.863 . . . . 0.0 111.525 177.457 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -41.77 81.67 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.533 1.061 . . . . 0.0 109.112 176.735 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.6 -41.28 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.385 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.7 -37.62 79.36 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.252 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.27 -44.11 98.51 Favored Glycine 0 CA--C 1.541 1.689 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 177.819 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -60.73 -47.19 87.42 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.512 1.156 . . . . 0.0 109.483 176.696 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.95 -48.02 82.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 110.679 177.593 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -59.12 -40.57 85.82 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.665 0.786 . . . . 0.0 110.876 176.988 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.68 -49.17 76.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.18 1.392 . . . . 0.0 110.243 177.368 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.24 -42.95 96.36 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.007 1.276 . . . . 0.0 110.071 178.787 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.62 -45.23 91.27 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.068 0.547 . . . . 0.0 110.336 177.43 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -60.09 -42.06 93.82 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.379 1.472 . . . . 0.0 111.925 177.319 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -57.33 -44.84 84.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.197 0.999 . . . . 0.0 109.466 177.401 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.83 -38.5 85.68 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.928 176.645 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.92 -42.96 99.13 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.347 1.43 . . . . 0.0 111.151 177.315 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -61.09 -46.34 91.01 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.788 0.722 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.91 -42.45 97.4 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.627 -0.671 . . . . 0.0 111.716 177.208 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.32 -52.22 66.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.449 1.5 . . . . 0.0 111.693 177.582 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.79 67.09 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.181 0.9 . . . . 0.0 111.248 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 m -61.09 -49.7 76.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.019 0.928 . . . . 0.0 110.484 177.205 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -60.92 -47.8 84.75 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 113.272 -178.888 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.1 p -75.85 -38.78 57.64 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -177.49 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.26 -21.7 26.69 Favored Glycine 0 N--CA 1.473 1.102 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 -177.397 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -129.44 -42.63 1.31 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.708 1.254 . . . . 0.0 113.39 -178.075 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.17 -45.81 84.25 Favored Glycine 0 N--CA 1.466 0.681 0 N-CA-C 116.051 1.18 . . . . 0.0 116.051 -178.086 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 m -78.87 -51.3 1.37 Allowed Pre-proline 0 N--CA 1.474 0.77 0 CA-C-N 118.094 0.947 . . . . 0.0 113.223 -178.365 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.93 3.25 4.61 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 123.189 2.593 . . . . 0.0 115.009 177.163 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -81.33 -42.15 20.99 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 179.847 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -146.56 177.66 8.89 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.639 1.576 . . . . 0.0 111.301 179.699 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.39 -45.32 76.63 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.436 -0.79 . . . . 0.0 112.098 -178.714 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -61.27 -49.13 78.31 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.986 0.812 . . . . 0.0 110.53 179.774 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -65.32 -25.89 67.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.522 1.055 . . . . 0.0 111.513 177.573 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -40.24 66.43 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.087 0.858 . . . . 0.0 109.549 176.231 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.31 -43.69 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.74 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.7 mt -57.88 -42.83 85.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.452 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -44.13 94.94 Favored Glycine 0 CA--C 1.542 1.734 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 176.84 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -61.68 -48.89 78.77 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.285 1.042 . . . . 0.0 108.21 178.163 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -57.03 -49.01 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.223 1.009 . . . . 0.0 111.228 177.59 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -59.35 -42.99 92.84 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.381 176.921 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.92 -48.98 74.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.376 1.47 . . . . 0.0 110.848 178.44 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.23 -40.48 94.18 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.524 1.056 . . . . 0.0 109.958 178.498 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.75 -38.04 85.82 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.563 -0.711 . . . . 0.0 109.581 176.695 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.55 -41.11 96.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.712 0.805 . . . . 0.0 109.047 177.658 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.83 -45.1 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.562 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.91 -38.28 81.87 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.083 177.006 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.46 -40.59 97.52 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.112 1.324 . . . . 0.0 108.959 177.329 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -64.48 -47.33 79.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.41 0.684 . . . . 0.0 109.64 177.201 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.32 -44.89 92.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.646 0.778 . . . . 0.0 110.929 177.221 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.94 -42.76 99.91 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 125.231 1.412 . . . . 0.0 111.918 178.398 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.0 80.51 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.212 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.2 m -62.84 -40.49 97.59 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.783 0.833 . . . . 0.0 110.789 176.968 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -61.83 -55.06 33.84 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.714 1.606 . . . . 0.0 112.586 178.022 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.3 p -75.96 -27.38 57.5 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.732 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.16 -19.29 33.8 Favored Glycine 0 CA--C 1.54 1.601 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -178.895 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -143.65 -52.73 0.35 Allowed 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.639 1.22 . . . . 0.0 113.945 -176.478 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.25 -26.86 51.43 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 126.196 1.855 . . . . 0.0 117.015 -177.879 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.0 p -110.91 -42.25 0.1 Allowed Pre-proline 0 CA--C 1.546 0.802 0 CA-C-O 116.542 -1.694 . . . . 0.0 113.263 177.524 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -71.86 -9.9 25.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 C-N-CA 122.932 2.422 . . . . 0.0 113.922 177.659 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 120.492 1.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -87.34 -16.54 34.75 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.345 1.979 . . . . 0.0 116.345 -177.6 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -169.22 173.63 6.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.914 2.086 . . . . 0.0 110.413 -179.841 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.2 tp -52.21 -52.71 50.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.736 1.214 . . . . 0.0 111.471 178.837 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -59.82 -41.88 92.25 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.823 0.849 . . . . 0.0 113.004 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 p -68.01 -29.39 68.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.514 1.506 . . . . 0.0 110.268 177.174 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -41.7 79.85 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.247 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.892 178.868 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.12 -37.83 78.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.329 0.651 . . . . 0.0 110.524 176.644 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.33 -49.94 69.57 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 175.884 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -59.13 -49.76 76.65 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.686 0.743 . . . . 0.0 109.676 177.094 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -54.27 -50.59 66.9 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.538 1.135 . . . . 0.0 111.854 178.621 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -60.41 -39.01 85.86 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.872 1.215 . . . . 0.0 112.295 176.815 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.2 -49.25 72.77 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 177.097 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.16 -37.93 89.24 Favored 'General case' 0 C--N 1.342 0.272 0 O-C-N 121.405 -0.81 . . . . 0.0 111.967 177.853 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.53 -42.5 99.56 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.409 -1.432 . . . . 0.0 108.9 176.957 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -61.43 -37.3 83.0 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 125.032 1.333 . . . . 0.0 110.832 176.385 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.5 -48.32 64.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.16 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.6 mt -56.15 -44.16 79.0 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.999 1.272 . . . . 0.0 110.7 176.948 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.22 -40.88 91.71 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.85 0.86 . . . . 0.0 110.853 177.051 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.0 m -66.09 -42.09 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.972 0.509 . . . . 0.0 110.286 176.951 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -62.35 -44.18 97.09 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.884 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.09 -34.91 78.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.558 1.143 . . . . 0.0 111.887 177.033 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.99 92.71 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.819 1.191 . . . . 0.0 108.892 177.682 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.8 m -65.69 -37.52 86.69 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.482 -1.386 . . . . 0.0 108.822 179.774 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -70.65 -51.17 29.66 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.833 1.253 . . . . 0.0 111.98 178.798 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.6 p -70.14 -30.63 67.84 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.018 1.327 . . . . 0.0 113.552 -178.552 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.45 -26.66 10.67 Favored Glycine 0 CA--C 1.545 1.951 0 C-N-CA 123.66 0.648 . . . . 0.0 114.622 -178.174 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -127.81 -52.69 1.34 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -178.222 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.3 -43.23 57.26 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 179.415 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.3 p -95.73 -46.71 0.26 Allowed Pre-proline 0 N--CA 1.48 1.053 0 CA-C-O 116.562 -1.685 . . . . 0.0 115.095 -179.29 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -71.27 -16.64 31.39 Favored 'Trans proline' 0 C--N 1.357 1.007 0 CA-C-N 122.867 2.06 . . . . 0.0 115.438 -178.531 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.627 0 CA-C-N 119.875 1.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 p -58.28 -47.54 83.31 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 -176.914 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -144.12 173.97 11.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.857 0.863 . . . . 0.0 111.148 179.134 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.8 tp -58.24 -48.5 80.21 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.207 -0.933 . . . . 0.0 112.173 -177.724 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -58.13 -46.51 85.48 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.477 1.111 . . . . 0.0 111.753 177.356 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.0 p -67.16 -29.62 69.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.265 0.939 . . . . 0.0 110.959 177.145 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -42.56 77.31 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 119.385 0.993 . . . . 0.0 108.903 177.509 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.62 -51.88 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.524 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -54.29 -45.08 72.43 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.47 1.108 . . . . 0.0 110.207 177.079 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.52 -45.92 93.87 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.611 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.13 -47.22 80.8 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.098 0.949 . . . . 0.0 109.482 177.289 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.6 mt -56.61 -50.58 71.59 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.498 1.119 . . . . 0.0 110.362 178.47 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -56.27 -38.91 71.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.735 1.152 . . . . 0.0 110.75 178.501 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -47.71 70.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.73 0.695 . . . . 0.0 111.224 177.388 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.26 -38.84 91.59 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 119.149 0.886 . . . . 0.0 110.645 178.089 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.99 -38.55 91.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.376 1.071 . . . . 0.0 108.799 177.312 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -65.02 -42.29 94.51 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.269 -0.894 . . . . 0.0 108.612 176.787 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.28 -43.91 92.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.787 1.176 . . . . 0.0 109.111 177.074 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.47 -38.61 87.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.545 0.738 . . . . 0.0 110.03 177.18 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.35 -42.91 98.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.964 1.256 . . . . 0.0 107.635 178.261 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.5 m -65.84 -40.1 91.45 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.668 1.187 . . . . 0.0 110.655 177.16 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -64.15 -43.66 94.51 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.205 -0.934 . . . . 0.0 109.468 177.762 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.66 -44.38 96.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.844 0.858 . . . . 0.0 109.636 177.126 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.84 83.07 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.052 0.842 . . . . 0.0 110.174 176.858 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 m -58.0 -39.29 77.9 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.682 1.593 . . . . 0.0 109.256 177.677 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.06 -51.89 58.9 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.469 -0.77 . . . . 0.0 109.846 179.12 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.8 p -62.58 -24.25 67.45 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 178.307 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -29.13 8.74 Favored Glycine 0 N--CA 1.482 1.759 0 N-CA-C 117.098 1.599 . . . . 0.0 117.098 178.263 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -139.46 -50.3 0.5 Allowed 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.354 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.44 -53.02 8.42 Favored Glycine 0 CA--C 1.552 2.36 0 N-CA-C 117.462 1.745 . . . . 0.0 117.462 -177.615 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.52 -40.36 0.27 Allowed Pre-proline 0 N--CA 1.477 0.896 0 CA-C-O 115.646 -2.121 . . . . 0.0 115.573 177.448 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.44 -27.41 82.42 Favored 'Trans proline' 0 C--N 1.353 0.798 0 CA-C-N 123.038 2.121 . . . . 0.0 116.106 176.514 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.92 0 CA-C-N 119.75 1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p -65.15 -35.31 80.72 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.2 1.555 . . . . 0.0 115.2 -177.566 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -156.34 175.26 14.24 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.605 1.162 . . . . 0.0 110.302 177.188 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.66 -43.27 89.78 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.406 -0.809 . . . . 0.0 112.285 -178.958 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -60.42 -45.95 91.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.245 1.018 . . . . 0.0 111.467 177.299 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -67.19 -29.39 69.06 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.39 0.996 . . . . 0.0 111.368 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -42.14 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.417 1.008 . . . . 0.0 108.716 175.586 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.16 -45.45 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.001 1.32 . . . . 0.0 108.489 178.273 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.84 -32.0 70.26 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.018 0.927 . . . . 0.0 110.189 177.289 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.02 -50.84 37.72 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.604 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.87 -48.38 75.66 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.166 0.986 . . . . 0.0 109.308 177.221 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.54 -48.31 82.14 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.925 1.29 . . . . 0.0 111.667 177.138 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -58.29 -37.5 75.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.574 0.749 . . . . 0.0 110.688 177.865 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -48.2 77.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.856 178.129 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.24 -44.04 97.45 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.683 0.674 . . . . 0.0 109.819 177.209 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.74 -36.81 82.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.592 1.157 . . . . 0.0 111.364 177.464 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.87 -49.91 64.16 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.409 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -54.75 -46.2 74.28 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.852 0.751 . . . . 0.0 109.434 177.55 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.44 -47.03 87.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.834 1.253 . . . . 0.0 110.859 177.836 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -60.58 -38.04 83.31 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.543 1.065 . . . . 0.0 111.154 176.749 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -66.19 -44.22 84.6 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.668 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.31 -43.5 96.3 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.372 -0.83 . . . . 0.0 109.642 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.74 -43.47 97.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.133 1.373 . . . . 0.0 110.967 178.358 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.94 83.97 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.617 0.767 . . . . 0.0 110.41 175.793 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.9 m -62.71 -39.55 94.37 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.435 0.694 . . . . 0.0 110.66 177.25 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 10.4 t-20 -69.21 -50.31 48.53 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.121 -1.612 . . . . 0.0 112.966 179.051 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -62.23 -18.23 60.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.569 1.147 . . . . 0.0 113.17 -178.349 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.43 -53.12 0.61 Allowed Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.812 1.196 . . . . 0.0 113.98 178.037 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 m -107.34 -32.24 7.85 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -176.934 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . -67.86 -44.33 79.97 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-O 117.761 -1.577 . . . . 0.0 115.357 -176.567 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.3 1.3 p -106.3 -55.78 0.07 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 177.158 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -75.33 -8.2 19.49 Favored 'Trans proline' 0 CA--C 1.552 1.403 0 C-N-CA 122.972 2.448 . . . . 0.0 114.311 176.105 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 119.072 -2.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -71.08 -33.01 69.8 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -177.496 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -157.61 176.95 11.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.734 1.214 . . . . 0.0 111.116 179.108 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp -54.91 -44.4 74.16 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.675 0.79 . . . . 0.0 112.429 177.742 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -60.74 -50.48 73.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.3 1.04 . . . . 0.0 111.21 179.097 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.0 p -64.38 -29.56 70.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.549 1.068 . . . . 0.0 112.085 177.306 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -46.09 68.19 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.675 1.125 . . . . 0.0 109.312 177.428 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.47 -49.51 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 O-C-N 121.245 -0.91 . . . . 0.0 109.832 177.59 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.14 -40.97 82.7 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.606 0.762 . . . . 0.0 110.469 176.91 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -43.32 95.33 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.691 1.138 . . . . 0.0 111.301 176.186 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -64.44 -51.31 63.74 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 176.989 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.43 -38.79 74.95 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.573 1.149 . . . . 0.0 112.479 179.407 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -63.16 -38.67 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.053 1.297 . . . . 0.0 108.513 177.755 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.58 -39.83 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.776 1.231 . . . . 0.0 109.437 176.895 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.35 -41.62 98.87 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.588 1.54 . . . . 0.0 108.787 177.133 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.73 -35.5 81.28 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.093 1.757 . . . . 0.0 108.907 177.344 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.16 -48.39 70.91 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 177.223 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.43 -45.27 80.84 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.944 1.298 . . . . 0.0 108.568 178.532 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.01 -45.04 96.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.129 0.972 . . . . 0.0 110.071 177.423 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -57.57 -43.77 84.78 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.718 1.145 . . . . 0.0 110.413 175.86 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -64.96 -44.24 90.06 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.101 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.98 93.75 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.567 1.076 . . . . 0.0 111.143 176.885 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.32 -46.38 90.08 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.16 0.984 . . . . 0.0 109.951 177.201 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.65 68.7 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.29 1.036 . . . . 0.0 110.909 178.346 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.8 m -62.3 -37.0 83.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.747 -0.595 . . . . 0.0 110.523 177.643 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -65.72 -51.29 60.49 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.073 -1.017 . . . . 0.0 111.93 177.828 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 p -61.83 -7.1 3.22 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.591 1.557 . . . . 0.0 115.024 178.188 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.92 -39.25 0.61 Allowed Glycine 0 CA--C 1.548 2.113 0 C-N-CA 124.894 1.235 . . . . 0.0 113.885 179.79 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -130.12 -11.81 4.16 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -177.33 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.19 -37.1 6.81 Favored Glycine 0 N--CA 1.477 1.38 0 CA-C-N 120.351 1.432 . . . . 0.0 114.289 -177.268 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -118.2 -44.54 0.05 OUTLIER Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 -179.008 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -72.32 -8.55 22.91 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 CA-C-N 123.055 2.127 . . . . 0.0 114.894 178.665 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.102 0 CA-C-N 120.889 1.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -82.25 -21.36 36.33 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 179.052 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -166.3 171.87 11.66 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.271 1.428 . . . . 0.0 110.435 177.802 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.5 tp -51.32 -46.04 62.46 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.817 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -57.88 -52.98 63.23 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.353 1.461 . . . . 0.0 111.507 178.225 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -63.49 -27.57 69.37 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 121.183 -0.948 . . . . 0.0 111.219 178.584 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.68 73.82 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 119.003 0.82 . . . . 0.0 109.018 176.478 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.2 -51.15 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 119.777 1.172 . . . . 0.0 108.679 177.058 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.94 -39.07 77.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.44 0.696 . . . . 0.0 111.395 177.59 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.27 96.54 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.383 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.47 -44.7 90.22 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.05 177.379 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.96 -48.0 73.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.612 1.096 . . . . 0.0 109.956 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -59.68 -42.15 92.29 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.699 0.8 . . . . 0.0 110.085 179.132 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -69.27 -41.61 76.65 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.657 0.783 . . . . 0.0 111.552 179.234 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.75 -40.91 96.09 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.728 1.149 . . . . 0.0 108.29 176.603 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.29 -36.78 84.82 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 176.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.42 -43.48 94.22 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.297 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.3 -36.46 80.15 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.984 177.188 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -66.75 -37.0 83.75 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.036 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.25 -35.08 79.94 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.736 1.153 . . . . 0.0 109.194 176.965 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -66.71 -39.43 88.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.681 1.128 . . . . 0.0 109.577 175.639 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -68.36 -40.14 81.57 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 121.101 -0.999 . . . . 0.0 110.783 176.3 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.18 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.443 1.497 . . . . 0.0 110.089 175.98 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.02 81.31 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 120.068 -1.645 . . . . 0.0 107.995 178.689 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.5 m -58.68 -44.92 90.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.901 0.48 . . . . 0.0 110.407 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -70.56 -41.79 71.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.111 -0.993 . . . . 0.0 113.254 -178.705 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -67.6 -30.67 70.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.054 0.942 . . . . 0.0 112.748 177.437 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.05 -49.88 3.41 Favored Glycine 0 CA--C 1.535 1.295 0 N-CA-C 115.661 1.025 . . . . 0.0 115.661 177.806 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -120.25 -6.45 9.88 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -177.298 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.47 -66.43 1.47 Allowed Glycine 0 N--CA 1.468 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 114.922 -178.141 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.299 11.9 p -117.88 -55.71 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.592 0 CA-C-O 116.109 -1.901 . . . . 0.0 115.366 -177.64 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -76.52 -32.78 3.54 Favored 'Trans proline' 0 CA--C 1.555 1.537 0 CA-C-N 123.325 2.223 . . . . 0.0 113.266 176.957 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.044 0 CA-C-N 119.175 0.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 p -70.87 -26.44 63.25 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -177.488 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -160.21 176.76 11.38 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.873 1.669 . . . . 0.0 110.472 177.406 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp -57.26 -47.16 82.12 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.343 0.657 . . . . 0.0 111.725 179.954 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -58.04 -43.62 86.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 112.65 177.47 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -66.05 -32.47 73.95 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 120.532 1.515 . . . . 0.0 110.829 177.382 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -40.81 89.12 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.652 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.3 -45.0 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.905 0.882 . . . . 0.0 109.342 176.912 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.04 -36.58 70.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.635 1.107 . . . . 0.0 110.338 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.21 -49.26 62.63 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 176.181 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -58.58 -47.74 83.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.312 1.045 . . . . 0.0 109.949 177.137 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.11 -41.37 88.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.665 0.786 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.42 -41.1 98.7 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.429 0.692 . . . . 0.0 110.961 177.301 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -61.66 -51.06 70.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.106 0.962 . . . . 0.0 109.785 177.203 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 8.5 mm-40 -61.75 -41.26 97.43 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.805 -0.56 . . . . 0.0 111.408 177.164 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.65 -32.17 72.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 177.238 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -71.07 -42.55 69.25 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 176.472 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 85.3 mttt -61.88 -43.5 98.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.845 0.858 . . . . 0.0 109.312 176.966 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.78 -46.26 87.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.047 0.939 . . . . 0.0 109.81 177.044 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.55 -31.27 72.38 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.619 177.471 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -68.93 -45.1 71.69 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.817 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -59.99 -42.28 93.86 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.099 0.96 . . . . 0.0 110.455 176.682 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.422 1.089 . . . . 0.0 110.458 177.473 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.31 86.13 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.384 -0.823 . . . . 0.0 110.64 177.131 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.4 m -59.29 -48.79 80.3 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.43 -0.794 . . . . 0.0 111.816 177.075 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.38 -41.22 89.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.842 0.747 . . . . 0.0 112.683 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 p -70.78 -33.18 70.49 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.297 -0.877 . . . . 0.0 113.327 177.808 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.37 -25.82 22.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.538 1.066 . . . . 0.0 115.345 -179.036 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -152.25 24.02 0.63 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.084 1.942 . . . . 0.0 114.655 -178.844 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -115.68 -81.57 0.93 Allowed Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.446 1.022 . . . . 0.0 112.982 178.206 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.291 3.0 p -88.33 -57.58 0.28 Allowed Pre-proline 0 N--CA 1.48 1.042 0 CA-C-O 116.84 -1.552 . . . . 0.0 115.011 179.254 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.05 -23.15 9.41 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.505 2.803 . . . . 0.0 114.697 177.953 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 120.743 -1.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -70.54 -43.94 68.51 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.998 2.221 . . . . 0.0 116.998 -177.365 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -147.72 175.19 11.1 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.287 1.403 . . . . 0.0 111.55 179.147 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.9 tp -54.38 -48.17 71.85 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.248 -0.908 . . . . 0.0 112.413 -178.731 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -58.35 -51.61 69.06 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.732 1.213 . . . . 0.0 110.049 178.562 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -67.61 -27.09 66.6 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 119.229 0.922 . . . . 0.0 110.856 179.695 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.36 -43.96 54.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.048 . . . . 0.0 109.336 177.729 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.33 -48.03 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.809 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.26 -34.06 73.2 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.08 1.309 . . . . 0.0 108.164 177.377 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.28 -44.68 90.25 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 178.808 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.44 -47.56 85.57 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.612 1.706 . . . . 0.0 106.57 176.992 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.0 -37.02 78.46 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.448 1.022 . . . . 0.0 110.886 177.213 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.95 93.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.332 1.053 . . . . 0.0 110.081 176.724 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.89 -43.41 79.39 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.474 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 12.0 mm-40 -65.21 -37.15 86.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.648 -1.282 . . . . 0.0 108.385 179.241 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.433 -1.31 0 O-C-N 120.121 -1.612 . . . . 0.0 107.771 178.579 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -63.3 -45.93 89.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.33 1.452 . . . . 0.0 108.634 177.803 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.9 mttt -59.79 -47.37 85.95 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.678 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.59 -38.13 86.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 110.166 179.445 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.83 -36.06 81.49 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.368 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -66.97 -45.86 76.39 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 176.158 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.73 -33.13 68.13 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.819 175.244 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.86 -42.23 81.66 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.142 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.93 96.66 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.703 -1.248 . . . . 0.0 108.454 178.408 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.9 m -68.24 -55.81 10.9 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 122.065 -0.397 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.1 -38.9 58.84 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 177.186 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.89 -27.8 66.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.835 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.01 -22.29 12.27 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.499 1.045 . . . . 0.0 113.623 177.301 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.5 m -157.33 91.7 1.19 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 128.349 2.66 . . . . 0.0 108.941 -178.127 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.53 -73.76 0.11 Allowed Glycine 0 N--CA 1.467 0.755 0 C-N-CA 124.09 0.853 . . . . 0.0 112.051 -177.537 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.294 20.6 p -117.87 -56.78 0.04 OUTLIER Pre-proline 0 N--CA 1.477 0.898 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 177.462 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -74.38 -26.26 12.4 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 CA-C-N 123.322 2.222 . . . . 0.0 115.083 -177.338 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.363 0 CA-C-N 118.729 0.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -77.16 -26.21 52.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -177.392 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -164.18 -179.37 6.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.168 1.387 . . . . 0.0 110.389 179.394 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.75 -52.13 61.14 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.992 0.917 . . . . 0.0 110.884 178.089 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -56.8 -47.11 80.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.383 1.073 . . . . 0.0 113.368 179.939 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -65.6 -33.92 77.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.122 1.328 . . . . 0.0 110.792 177.446 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -38.31 80.5 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.159 0.436 . . . . 0.0 109.881 176.408 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.01 1.724 . . . . 0.0 108.914 176.92 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.69 -47.6 79.52 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.43 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.76 97.72 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 179.123 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.59 -46.92 71.23 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 115.275 -2.297 . . . . 0.0 109.508 177.287 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.59 -40.93 84.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 120.236 1.38 . . . . 0.0 111.348 177.791 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 117.033 -1.461 . . . . 0.0 109.685 176.377 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.62 -43.14 90.45 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.741 175.797 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.24 -40.28 95.63 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 119.1 0.864 . . . . 0.0 108.986 177.943 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -34.81 77.29 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.434 -1.416 . . . . 0.0 109.646 177.321 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -42.86 99.76 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.387 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -58.1 -48.85 78.92 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.818 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.65 -42.51 88.53 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.396 -179.739 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.77 -45.2 94.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 120.088 1.313 . . . . 0.0 109.775 176.571 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -62.44 -39.69 94.17 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.827 -1.171 . . . . 0.0 110.071 178.063 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.07 -48.21 74.55 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.04 177.995 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.94 -41.54 99.52 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 119.754 1.161 . . . . 0.0 111.309 178.207 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -32.55 72.91 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -76.4 -55.09 5.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.1 1.36 . . . . 0.0 109.576 178.175 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -55.35 -39.9 70.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.92 1.688 . . . . 0.0 113.125 -177.721 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.9 p -62.56 -17.61 60.33 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 176.88 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.88 -29.16 4.46 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 125.643 1.592 . . . . 0.0 111.529 176.847 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -160.65 100.38 1.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.261 1.424 . . . . 0.0 109.678 -179.757 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.75 -102.54 0.18 Allowed Glycine 0 C--N 1.338 0.639 0 C-N-CA 128.057 2.742 . . . . 0.0 107.778 -177.545 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.257 0.1 OUTLIER -100.3 -63.14 0.08 OUTLIER Pre-proline 0 N--CA 1.482 1.154 0 CA-C-O 115.388 -2.244 . . . . 0.0 109.993 176.556 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -66.37 -36.89 25.53 Favored 'Trans proline' 0 C--N 1.357 0.984 0 CA-C-N 122.626 1.973 . . . . 0.0 110.599 178.101 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.064 0 O-C-N 119.551 -1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -97.52 -36.4 10.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -177.356 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -151.91 173.63 14.58 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.935 1.294 . . . . 0.0 110.088 177.779 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.89 -44.24 78.01 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 118.653 -0.689 . . . . 0.0 112.15 -177.223 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -61.05 -48.43 81.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.702 1.137 . . . . 0.0 112.318 177.29 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -67.45 -27.66 67.23 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 119.789 1.177 . . . . 0.0 110.989 177.55 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.466 -0.771 . . . . 0.0 109.946 178.347 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.71 -49.06 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.166 1.386 . . . . 0.0 108.878 176.809 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.49 -41.98 95.39 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.518 1.054 . . . . 0.0 109.572 177.222 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.91 -45.22 96.23 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.013 0.816 . . . . 0.0 111.591 177.223 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.66 -47.11 76.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.607 1.204 . . . . 0.0 109.155 177.077 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.91 -54.69 39.37 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.479 1.512 . . . . 0.0 110.683 177.365 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.9 m -60.54 -35.69 76.62 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.691 0.678 . . . . 0.0 111.035 179.811 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -51.53 61.5 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.424 1.011 . . . . 0.0 109.939 177.146 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -64.64 -33.34 75.71 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.096 0.862 . . . . 0.0 111.521 177.485 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.69 -35.35 75.01 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.739 1.154 . . . . 0.0 108.501 177.225 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -67.64 -34.26 76.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.947 1.248 . . . . 0.0 107.713 176.384 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -70.58 -39.45 73.87 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.571 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.52 -41.2 98.71 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.784 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.86 -37.0 85.12 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.204 0.911 . . . . 0.0 108.73 177.168 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -68.29 -42.47 79.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.511 1.124 . . . . 0.0 108.709 177.345 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -63.37 -36.9 85.25 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.697 1.135 . . . . 0.0 108.736 177.318 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.57 -45.36 79.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.603 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.65 79.52 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.303 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.653 1.181 . . . . 0.0 108.89 178.162 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -60.96 -34.9 75.46 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.876 0.762 . . . . 0.0 111.898 177.654 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -69.14 -15.14 63.35 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.332 0.969 . . . . 0.0 111.992 177.558 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.13 -44.79 1.44 Allowed Glycine 0 C--N 1.346 1.116 0 C-N-CA 126.098 1.808 . . . . 0.0 109.393 -177.602 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -147.09 83.84 1.58 Allowed 'General case' 0 CA--C 1.538 0.514 0 O-C-N 119.967 -1.902 . . . . 0.0 110.28 179.776 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.22 -79.99 0.05 OUTLIER Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.916 1.722 . . . . 0.0 110.48 178.884 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.286 97.9 m -111.19 -82.68 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.809 0 CA-C-O 117.041 -1.457 . . . . 0.0 108.622 177.379 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -58.02 -28.52 83.56 Favored 'Trans proline' 0 CA--C 1.555 1.555 0 CA-C-N 123.69 2.354 . . . . 0.0 115.095 176.395 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.579 0 CA-C-N 120.696 1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -87.17 -47.19 9.07 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -177.507 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -146.41 175.76 10.3 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.481 1.037 . . . . 0.0 111.285 -177.807 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp -49.08 -54.28 16.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.88 0.872 . . . . 0.0 112.674 179.035 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -57.65 -50.1 74.29 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.052 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.1 p -65.83 -35.37 80.48 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 120.057 1.298 . . . . 0.0 111.257 178.749 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -42.51 73.77 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.265 -0.897 . . . . 0.0 111.585 177.33 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.15 -42.02 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.543 1.065 . . . . 0.0 109.313 176.731 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.56 -42.05 95.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.171 1.351 . . . . 0.0 108.03 177.785 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.28 99.52 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.211 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -64.79 -41.42 95.84 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.662 -1.161 . . . . 0.0 109.415 176.966 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.57 -45.21 95.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.643 1.11 . . . . 0.0 108.24 176.761 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 m -59.62 -37.92 79.94 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.051 0.841 . . . . 0.0 110.58 176.801 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.91 -47.97 78.45 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.758 1.223 . . . . 0.0 109.664 176.654 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.33 -33.29 74.94 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.641 1.109 . . . . 0.0 109.294 178.681 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.83 -37.84 82.44 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.241 1.837 . . . . 0.0 108.501 176.576 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -65.55 -37.14 85.85 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.995 1.318 . . . . 0.0 107.779 176.813 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.27 -41.12 90.35 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.188 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.245 1.384 . . . . 0.0 107.667 179.968 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.57 -35.52 81.07 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.979 -1.076 . . . . 0.0 110.07 176.575 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -64.81 -44.38 90.07 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 108.468 176.286 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.596 -1.315 . . . . 0.0 109.245 178.357 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.35 -43.52 96.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.902 1.281 . . . . 0.0 110.758 177.22 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.1 75.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.794 0.838 . . . . 0.0 109.862 177.322 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.3 m -60.7 -48.4 81.96 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.115 -0.991 . . . . 0.0 109.812 179.087 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.696 1.199 . . . . 0.0 111.572 -179.037 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -65.02 -17.58 64.56 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 176.729 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.75 -30.86 6.59 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.382 1.468 . . . . 0.0 112.239 176.566 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.3 m -162.94 98.37 0.95 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.826 2.45 . . . . 0.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.62 -120.73 0.78 Allowed Glycine 0 N--CA 1.469 0.889 0 C-N-CA 125.688 1.613 . . . . 0.0 110.454 -177.491 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.404 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 22.7 m -80.04 -57.14 0.68 Allowed Pre-proline 0 N--CA 1.485 1.306 0 CA-C-O 117.172 -1.394 . . . . 0.0 109.873 176.524 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.404 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 13.7 Cg_exo -69.26 -43.55 3.0 Favored 'Trans proline' 0 CA--C 1.557 1.665 0 C-N-CA 122.535 2.157 . . . . 0.0 110.092 175.418 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.844 0 CA-C-N 120.431 1.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -79.19 -44.03 22.7 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -177.61 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -149.26 178.75 8.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.591 1.156 . . . . 0.0 111.544 -176.567 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.9 tp -50.67 -56.31 12.47 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.773 0.829 . . . . 0.0 111.376 177.663 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -52.2 -52.41 52.35 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.483 1.513 . . . . 0.0 112.913 -179.279 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.8 p -65.99 -33.39 75.7 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.661 0.664 . . . . 0.0 111.71 177.806 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.92 74.28 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.041 0.837 . . . . 0.0 110.944 177.225 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.22 -48.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.131 1.332 . . . . 0.0 108.738 177.353 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 mt -54.87 -46.21 74.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.063 0.847 . . . . 0.0 109.391 177.296 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.76 98.32 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 177.725 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.69 -44.97 95.92 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.166 1.483 . . . . 0.0 109.54 177.118 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.22 -48.98 78.68 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.365 0.984 . . . . 0.0 109.359 177.155 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -39.68 89.81 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.995 177.608 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.38 -46.77 78.79 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.121 0.969 . . . . 0.0 111.04 177.115 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 16.7 mm-40 -65.41 -38.64 90.54 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.914 1.234 . . . . 0.0 109.764 177.1 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -63.54 -30.58 71.68 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.971 -1.08 . . . . 0.0 110.926 175.587 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.84 -48.28 63.9 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.857 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 87.5 mttt -58.38 -42.49 87.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.36 1.064 . . . . 0.0 109.469 177.086 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.12 -42.31 98.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.676 -0.678 . . . . 0.0 109.369 177.052 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.39 -39.72 94.15 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.039 0.836 . . . . 0.0 109.021 176.879 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -65.86 -45.42 82.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.182 0.901 . . . . 0.0 109.944 177.947 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -60.18 -45.05 94.44 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.807 0.843 . . . . 0.0 109.656 177.249 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.97 -45.12 95.02 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.415 1.086 . . . . 0.0 110.433 178.061 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.57 68.87 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.526 1.131 . . . . 0.0 111.347 177.765 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -76.66 -47.8 20.99 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 176.317 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.09 -39.64 79.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.518 1.527 . . . . 0.0 113.2 179.287 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -65.81 -21.0 66.46 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.522 1.129 . . . . 0.0 112.9 177.444 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.19 -26.55 6.93 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.837 1.208 . . . . 0.0 113.131 177.241 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -158.9 89.83 0.96 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.791 2.036 . . . . 0.0 110.818 178.043 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.99 -102.72 0.17 Allowed Glycine 0 CA--C 1.535 1.305 0 CA-C-O 119.134 -0.815 . . . . 0.0 111.606 -178.972 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.4 -64.37 0.12 Allowed Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.136 -1.411 . . . . 0.0 111.206 177.55 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -71.1 -29.03 18.24 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 122.459 2.106 . . . . 0.0 112.927 177.189 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.017 0 CA-C-N 118.696 0.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -90.38 -35.29 15.28 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 178.92 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -152.52 173.38 15.23 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.958 1.303 . . . . 0.0 110.327 176.664 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.23 -42.82 82.13 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.077 -1.014 . . . . 0.0 113.158 -178.366 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.5 -47.44 81.69 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.087 0.555 . . . . 0.0 111.881 178.243 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -62.44 -30.49 71.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.128 0.876 . . . . 0.0 110.466 176.724 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -45.56 77.74 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.62 0.768 . . . . 0.0 108.971 177.311 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.15 -51.6 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.726 1.21 . . . . 0.0 109.994 177.272 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.62 -48.83 71.76 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.773 0.715 . . . . 0.0 110.736 177.182 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.23 90.8 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.078 0.847 . . . . 0.0 111.735 177.505 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.4 -48.39 81.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.328 1.064 . . . . 0.0 110.721 176.903 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.9 mt -54.97 -46.77 75.09 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.572 1.078 . . . . 0.0 111.261 177.071 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m -64.86 -41.02 96.02 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.893 177.767 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -45.6 92.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.722 0.809 . . . . 0.0 111.998 177.057 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.94 -41.66 92.33 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.358 0.981 . . . . 0.0 109.481 177.523 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.5 mt -63.96 -36.39 83.79 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 121.213 -0.93 . . . . 0.0 110.825 176.626 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.81 -41.72 97.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.945 1.298 . . . . 0.0 110.46 176.601 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.99 -49.42 76.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.999 0.92 . . . . 0.0 108.792 176.743 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.1 mt -54.99 -45.39 75.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.329 1.052 . . . . 0.0 111.169 177.581 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -63.74 -37.51 87.63 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.117 0.871 . . . . 0.0 110.965 177.222 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -66.21 -42.67 88.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 110.363 177.385 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -62.46 -47.35 84.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.081 0.952 . . . . 0.0 108.942 177.487 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.75 -55.03 39.41 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.403 1.481 . . . . 0.0 110.813 177.659 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.23 -52.92 18.91 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.737 1.215 . . . . 0.0 110.422 177.497 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 m -58.98 -52.84 64.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.149 0.98 . . . . 0.0 111.674 178.192 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.42 -30.62 65.11 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 113.528 -177.545 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -58.75 -38.08 77.66 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.679 1.127 . . . . 0.0 112.735 179.371 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.68 -24.1 6.55 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.197 0.903 . . . . 0.0 114.499 -179.863 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -136.95 65.35 1.51 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.36 1.464 . . . . 0.0 110.399 -178.106 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.87 -78.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.087 -0.841 . . . . 0.0 113.777 -179.011 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.251 0.2 OUTLIER -116.41 -64.31 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -177.457 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.27 -46.57 5.6 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.602 2.202 . . . . 0.0 113.528 -177.607 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 O-C-N 120.612 -1.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 p -65.46 -52.18 54.86 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -177.341 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -145.55 171.38 14.77 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.964 1.256 . . . . 0.0 110.897 177.323 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.7 tp -53.65 -54.61 35.3 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.407 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -58.46 -46.68 86.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 112.803 -178.999 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -67.48 -30.79 70.58 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.174 0.897 . . . . 0.0 110.934 176.933 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.24 -44.68 78.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.646 0.779 . . . . 0.0 110.296 176.617 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.17 -48.98 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.144 0.883 . . . . 0.0 108.741 177.468 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -54.07 -55.93 22.82 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.364 1.066 . . . . 0.0 110.532 177.169 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.93 92.26 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 123.548 0.594 . . . . 0.0 113.874 178.235 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.19 -51.14 65.22 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.873 0.869 . . . . 0.0 109.274 177.715 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.65 -36.34 78.45 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.512 0.725 . . . . 0.0 111.513 177.871 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -62.92 -37.81 88.46 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.813 1.188 . . . . 0.0 110.51 176.308 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -36.68 75.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.912 0.885 . . . . 0.0 109.883 176.831 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.26 -39.49 89.5 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.765 -1.21 . . . . 0.0 108.218 176.838 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.0 -30.78 71.39 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.113 -0.992 . . . . 0.0 109.191 176.725 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -67.11 -45.39 77.36 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 177.712 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -58.41 -44.07 88.88 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.023 0.828 . . . . 0.0 109.07 176.704 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.22 -37.52 83.33 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 117.263 -1.351 . . . . 0.0 110.119 177.047 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.93 -39.0 92.83 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 120.413 1.461 . . . . 0.0 108.363 176.795 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -63.9 -42.5 97.42 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.945 0.793 . . . . 0.0 109.559 176.763 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -64.64 -40.89 96.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.563 0.745 . . . . 0.0 110.412 177.331 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.66 -46.36 85.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.748 1.219 . . . . 0.0 111.007 177.257 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.06 71.64 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.246 177.571 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -73.44 -54.38 8.41 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 108.941 177.328 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -57.37 -32.41 66.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.219 1.808 . . . . 0.0 114.996 -177.363 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -63.21 -27.7 69.54 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.492 0.587 . . . . 0.0 112.469 177.541 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.37 -66.52 0.7 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.04 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.3 m -90.94 76.28 6.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.374 2.269 . . . . 0.0 109.495 177.452 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.13 -85.34 0.07 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 116.212 1.245 . . . . 0.0 116.212 177.447 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.261 1.0 OUTLIER -108.25 -63.13 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.966 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -177.269 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.38 -31.42 28.07 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.743 2.296 . . . . 0.0 114.587 -179.552 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.031 0 O-C-N 120.712 -1.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 078 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 118.519 -0.753 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 078 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 p -78.64 -46.02 20.2 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 117.38 2.363 . . . . 0.0 117.38 -177.248 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -147.74 174.03 12.21 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.038 1.29 . . . . 0.0 111.843 178.903 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.59 -56.38 12.01 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.421 1.088 . . . . 0.0 112.382 -178.45 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -59.56 -45.33 92.15 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 113.57 178.884 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.1 p -67.96 -34.99 77.63 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.471 1.032 . . . . 0.0 109.793 179.38 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -42.57 88.8 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.657 0.662 . . . . 0.0 110.09 177.192 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 t -64.13 -50.75 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.015 0.926 . . . . 0.0 109.581 177.414 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.57 -48.81 68.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 110.32 177.383 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.09 -51.65 57.05 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.241 0.925 . . . . 0.0 112.518 177.246 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -57.84 -42.93 85.43 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.872 1.336 . . . . 0.0 110.295 178.014 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.45 -45.81 90.55 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.967 0.803 . . . . 0.0 110.573 177.255 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.8 m -65.21 -33.72 76.67 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 116.582 -1.675 . . . . 0.0 110.833 176.977 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.72 -46.8 74.34 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.858 1.208 . . . . 0.0 109.382 177.422 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 71.5 mm-40 -65.83 -37.92 87.5 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.816 -1.177 . . . . 0.0 108.889 178.846 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 mt -63.57 -33.64 76.04 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.026 -1.671 . . . . 0.0 108.592 177.045 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -65.84 -36.73 84.29 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.01 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 83.9 mttt -66.28 -42.45 88.41 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.746 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.43 -40.57 97.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.266 0.939 . . . . 0.0 110.242 177.26 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.75 -38.27 90.49 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.397 0.999 . . . . 0.0 108.866 176.763 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 m -64.95 -46.52 81.22 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.336 1.055 . . . . 0.0 108.318 177.114 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.39 -37.42 87.21 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.468 -1.395 . . . . 0.0 107.924 179.532 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -60.87 -38.7 86.47 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.176 0.898 . . . . 0.0 110.083 178.947 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.37 -8.04 29.64 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.699 1.199 . . . . 0.0 113.75 176.387 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -104.6 -36.66 7.41 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 127.582 2.353 . . . . 0.0 106.72 177.387 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -63.67 -25.18 68.09 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 125.088 1.355 . . . . 0.0 109.625 -177.893 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -67.42 -0.21 3.49 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.49 1.916 . . . . 0.0 112.704 177.464 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.77 -78.44 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 128.552 2.977 . . . . 0.0 106.303 177.79 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -94.99 84.72 4.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.411 1.485 . . . . 0.0 109.224 178.444 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.99 -65.42 0.1 OUTLIER Glycine 0 CA--C 1.518 0.263 0 O-C-N 121.553 -0.717 . . . . 0.0 114.399 179.244 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.406 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 24.1 m -111.9 -58.13 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.147 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 178.34 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 40.4 Cg_exo -63.72 -47.09 7.65 Favored 'Trans proline' 0 CA--C 1.55 1.31 0 CA-C-N 122.924 2.08 . . . . 0.0 114.308 -179.4 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.45 0 CA-C-N 118.858 0.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 079 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 079 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -80.07 -58.4 3.17 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -177.386 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -135.39 172.29 13.22 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.684 1.129 . . . . 0.0 110.642 177.503 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.58 -56.04 24.95 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.712 0.805 . . . . 0.0 112.25 -177.519 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -58.59 -46.45 86.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 0.0 112.376 178.377 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.0 p -65.21 -24.69 67.43 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.531 1.06 . . . . 0.0 111.856 178.119 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -43.12 78.69 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.527 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.86 -58.41 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.009 1.323 . . . . 0.0 112.178 177.219 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.66 -40.28 78.98 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.114 1.766 . . . . 0.0 110.217 179.995 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.63 -43.33 76.84 Favored Glycine 0 CA--C 1.543 1.801 0 CA-C-O 117.433 -1.76 . . . . 0.0 108.816 179.513 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -63.41 -40.65 97.77 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.343 2.072 . . . . 0.0 109.862 177.008 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.34 -41.62 93.98 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.806 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -68.91 -37.26 78.84 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -176.816 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -44.36 89.49 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 120.988 1.722 . . . . 0.0 108.056 177.323 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -61.89 -39.12 90.85 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.355 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.41 -35.77 82.0 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.072 -1.642 . . . . 0.0 107.611 -179.373 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.86 -44.12 90.74 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.283 1.033 . . . . 0.0 108.638 176.061 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -61.87 -37.83 86.03 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.967 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.95 -37.01 85.37 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.921 178.27 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.95 -43.57 92.26 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.218 0.917 . . . . 0.0 108.62 177.404 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -64.58 -43.03 95.16 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.48 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -62.36 -40.6 96.97 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.057 -1.027 . . . . 0.0 108.958 177.165 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.96 -39.82 94.06 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.721 -1.237 . . . . 0.0 110.413 177.99 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.73 68.02 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 118.657 0.662 . . . . 0.0 111.122 177.251 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.9 m -86.37 -38.21 17.65 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.91 1.684 . . . . 0.0 110.337 174.797 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' C ' ' H ' ' A' ' 28' ' ' GLY . 13.5 t-20 -58.65 -30.89 67.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.016 1.727 . . . . 0.0 113.137 -178.224 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -63.71 3.33 0.37 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.897 2.079 . . . . 0.0 112.98 177.826 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 26' ' ' ASN . . . -147.54 -76.84 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 C-N-CA 130.116 3.722 . . . . 0.0 107.353 -178.507 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -89.37 77.52 7.35 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 126.557 1.943 . . . . 0.0 110.769 178.336 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.35 -51.23 0.17 Allowed Glycine 0 CA--C 1.541 1.663 0 O-C-N 119.51 -1.994 . . . . 0.0 112.299 177.249 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.268 99.2 m -116.61 -63.39 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.281 0 CA-C-O 116.755 -1.593 . . . . 0.0 110.977 179.278 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.14 -47.52 17.24 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 123.194 2.176 . . . . 0.0 114.781 -178.677 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.025 0 CA-C-N 119.035 0.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 080 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 080 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -67.64 -86.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.464 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -107.16 156.47 18.78 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.674 1.125 . . . . 0.0 112.501 -177.871 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.27 -48.31 79.21 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -177.568 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -58.41 -56.19 25.29 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.439 1.096 . . . . 0.0 113.053 -177.529 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.51 -34.52 78.1 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.545 0.611 . . . . 0.0 111.522 177.815 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 t -65.51 -45.0 85.24 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.288 0.949 . . . . 0.0 110.818 177.919 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.15 -48.99 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.75 177.129 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.97 -33.74 72.36 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.118 0.872 . . . . 0.0 110.916 177.202 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -44.28 57.44 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 177.684 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.11 -44.08 89.91 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.238 1.019 . . . . 0.0 109.09 177.842 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.62 -46.21 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.971 0.908 . . . . 0.0 109.718 176.714 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -60.36 -39.31 86.72 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.847 0.859 . . . . 0.0 111.549 175.528 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -49.87 73.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.349 1.06 . . . . 0.0 110.203 177.165 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.18 -38.49 91.39 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.293 -0.879 . . . . 0.0 109.79 178.201 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.1 -34.99 79.31 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 119.168 0.894 . . . . 0.0 109.038 177.083 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.63 -37.93 85.87 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 109.461 176.403 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.33 -44.92 86.24 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.486 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.25 -39.53 90.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.733 1.151 . . . . 0.0 111.142 176.134 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.86 -40.86 98.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.133 1.373 . . . . 0.0 109.844 177.914 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -72.22 -42.28 65.91 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.52 1.128 . . . . 0.0 109.646 177.179 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -58.75 -41.19 85.95 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.115 1.366 . . . . 0.0 109.114 177.109 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 tp -59.93 -51.66 68.76 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.177 1.391 . . . . 0.0 110.044 177.938 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.88 39.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.582 0.753 . . . . 0.0 109.951 178.107 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -61.17 -44.51 97.2 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.316 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.6 -35.85 66.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.406 1.483 . . . . 0.0 114.716 178.408 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.6 p -62.27 -10.34 10.63 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 177.688 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.0 -56.13 0.15 Allowed Glycine 0 N--CA 1.474 1.209 0 C-N-CA 126.723 2.106 . . . . 0.0 113.079 177.37 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -113.46 76.07 0.96 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.983 2.113 . . . . 0.0 110.85 176.65 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.24 -76.35 0.06 OUTLIER Glycine 0 CA--C 1.524 0.608 0 C-N-CA 125.77 1.652 . . . . 0.0 109.927 177.395 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.3 m -74.89 -55.06 2.51 Favored Pre-proline 0 N--CA 1.477 0.896 0 CA-C-O 117.441 -1.266 . . . . 0.0 112.953 177.699 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.69 -52.82 1.6 Allowed 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.307 2.005 . . . . 0.0 114.02 176.692 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.111 0 O-C-N 123.391 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 081 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 117.222 -1.371 . . . . 0.0 108.705 . . . . . . . . . 0 0 . 1 . 081 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -72.36 -84.67 0.03 OUTLIER 'General case' 0 C--N 1.354 0.769 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -177.928 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -85.08 156.41 21.09 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 177.807 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.87 -48.31 77.22 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -179.524 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -54.71 -52.47 62.35 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.286 1.034 . . . . 0.0 112.942 -177.824 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 p -69.65 -30.75 68.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.725 178.86 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -65.02 -42.14 94.67 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 120.417 1.462 . . . . 0.0 108.769 -179.049 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.8 -47.78 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.668 177.27 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.72 -43.98 77.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.301 0.955 . . . . 0.0 111.195 177.028 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.81 85.15 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 126.395 1.95 . . . . 0.0 110.613 178.201 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.84 -49.77 74.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.732 1.266 . . . . 0.0 110.085 177.295 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.14 -44.91 83.83 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.222 0.919 . . . . 0.0 110.524 177.011 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -60.71 -39.13 87.4 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.907 0.883 . . . . 0.0 111.115 177.3 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.43 -49.38 69.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.816 0.847 . . . . 0.0 110.287 177.32 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.8 -45.85 91.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.815 -1.178 . . . . 0.0 109.722 177.6 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -60.26 -43.08 96.46 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.529 1.132 . . . . 0.0 109.159 177.054 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.29 -39.08 93.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.842 -1.161 . . . . 0.0 110.1 179.259 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -58.91 -48.1 82.65 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 119.888 -1.757 . . . . 0.0 108.515 177.327 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.44 -45.78 84.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.899 1.28 . . . . 0.0 108.156 177.308 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 124.563 1.145 . . . . 0.0 108.408 -179.117 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -65.36 -48.55 72.58 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.551 1.069 . . . . 0.0 110.718 178.247 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -58.17 -49.39 77.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.54 0.736 . . . . 0.0 111.302 177.404 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.32 -51.23 70.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.118 1.767 . . . . 0.0 111.814 179.055 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.26 77.93 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.169 0.988 . . . . 0.0 110.719 177.564 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -67.1 -46.04 75.43 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.225 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -57.31 -38.55 74.2 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.289 1.836 . . . . 0.0 112.889 -178.925 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -11.34 19.9 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.062 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.05 -56.45 0.33 Allowed Glycine 0 CA--C 1.555 2.553 0 C-N-CA 127.267 2.365 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -128.73 85.19 2.3 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.827 2.051 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.87 -69.0 0.05 OUTLIER Glycine 0 N--CA 1.466 0.697 0 N-CA-C 107.643 -2.183 . . . . 0.0 107.643 176.943 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 93.4 m -84.85 -53.49 0.48 Allowed Pre-proline 0 CA--C 1.541 0.627 0 O-C-N 125.003 1.061 . . . . 0.0 111.304 177.278 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -72.22 -50.5 0.25 Allowed 'Trans proline' 0 CA--C 1.565 2.073 0 CA-C-O 115.18 -2.092 . . . . 0.0 115.126 177.803 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.442 0 CA-C-N 121.413 1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 082 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 082 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -63.65 -66.4 0.55 Allowed 'General case' 0 CA--C 1.561 1.39 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -176.967 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -132.41 163.48 28.65 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.839 1.199 . . . . 0.0 112.596 179.819 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.29 -52.9 61.94 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.435 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -52.92 -55.05 26.18 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.501 1.52 . . . . 0.0 112.903 -177.997 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.8 p -66.65 -38.19 86.35 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.203 -0.903 . . . . 0.0 112.0 177.698 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.29 -43.46 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.644 1.111 . . . . 0.0 113.201 -179.61 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.44 -52.98 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.137 0.881 . . . . 0.0 110.267 177.344 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.5 -44.85 93.0 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.729 0.412 . . . . 0.0 111.191 177.553 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.64 -44.81 93.84 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 124.339 0.971 . . . . 0.0 112.1 177.319 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -64.84 -40.86 95.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.177 0.989 . . . . 0.0 110.087 177.345 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.83 -41.97 98.46 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.551 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 m -62.89 -40.8 98.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.754 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.33 -47.58 85.42 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.798 1.239 . . . . 0.0 110.837 177.329 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 72.7 mm-40 -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.068 0.849 . . . . 0.0 110.009 177.472 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.88 -37.88 88.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.359 0.664 . . . . 0.0 109.666 177.702 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -62.34 -40.98 98.13 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.189 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 74.7 mttt -57.94 -46.53 84.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.464 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.54 -43.38 97.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.015 0.926 . . . . 0.0 109.89 178.248 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.16 -48.25 82.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.397 1.079 . . . . 0.0 109.861 177.121 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.3 m -62.99 -41.85 99.68 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.432 -0.792 . . . . 0.0 109.658 177.993 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.62 -48.74 80.43 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.393 -1.442 . . . . 0.0 107.995 -179.631 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.56 -49.59 76.92 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.32 0.964 . . . . 0.0 110.7 178.052 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -10.93 6.47 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.63 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -109.54 -36.95 5.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.64 1.576 . . . . 0.0 109.545 179.568 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.65 -31.63 66.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.47 1.508 . . . . 0.0 114.215 -176.842 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -61.58 -17.82 56.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.977 1.311 . . . . 0.0 113.13 178.516 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.2 -60.5 0.21 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 126.656 2.074 . . . . 0.0 112.075 177.124 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.3 m -111.21 73.83 0.84 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.275 1.83 . . . . 0.0 111.233 -179.177 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.33 -67.87 0.05 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 126.215 1.864 . . . . 0.0 111.617 177.373 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 m -82.73 -54.31 0.58 Allowed Pre-proline 0 N--CA 1.478 0.934 0 CA-C-O 117.01 -1.472 . . . . 0.0 113.555 177.131 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -63.8 -66.1 0.05 OUTLIER 'Trans proline' 0 CA--C 1.563 1.94 0 C-N-CA 123.268 2.645 . . . . 0.0 115.584 173.808 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.896 0 O-C-N 124.256 0.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 083 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 118.2 -0.905 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 083 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -89.98 -73.38 0.52 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.46 1.104 . . . . 0.0 112.31 -178.759 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -111.83 158.46 19.37 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.208 1.003 . . . . 0.0 111.573 177.19 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp -58.64 -53.41 58.67 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -177.351 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -54.36 -34.71 61.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.855 1.262 . . . . 0.0 113.597 -177.306 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.8 p -94.5 -16.11 23.6 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.365 -0.834 . . . . 0.0 112.993 177.343 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -50.46 -64.69 0.73 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.479 1.512 . . . . 0.0 114.63 -177.283 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.12 -42.69 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.455 -178.027 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.47 -34.06 77.33 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.187 0.903 . . . . 0.0 111.609 177.421 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.95 59.64 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.737 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -56.9 -53.8 53.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.506 1.122 . . . . 0.0 108.058 177.026 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -56.62 -43.77 80.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.829 1.252 . . . . 0.0 112.484 178.636 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -63.92 -41.68 97.58 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.358 0.527 . . . . 0.0 112.194 177.464 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.24 -41.45 85.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.534 0.606 . . . . 0.0 109.751 176.531 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.49 -42.1 99.26 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.205 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.0 -41.47 99.59 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.393 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.06 -41.02 91.46 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.981 0.912 . . . . 0.0 109.782 178.036 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.12 -49.94 70.21 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.401 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.26 -43.7 83.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.692 1.197 . . . . 0.0 111.542 177.396 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.56 -37.94 85.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 110.273 176.464 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.7 m -67.05 -44.09 81.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.595 1.158 . . . . 0.0 110.93 176.301 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -61.14 -43.75 98.4 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.416 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.73 -42.53 99.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.945 1.298 . . . . 0.0 111.294 177.878 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.02 93.06 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.324 0.65 . . . . 0.0 109.892 179.373 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -58.51 -38.49 77.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.533 1.133 . . . . 0.0 111.981 176.655 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -55.23 -47.19 75.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.781 1.233 . . . . 0.0 112.623 -179.15 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -26.4 2.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.259 2.224 . . . . 0.0 116.43 -177.935 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -22.03 0.63 Allowed Glycine 0 N--CA 1.476 1.317 0 N-CA-C 116.163 1.225 . . . . 0.0 116.163 -178.605 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -128.77 -0.69 5.4 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.082 1.441 . . . . 0.0 114.801 -176.899 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.17 -79.55 1.47 Allowed Glycine 0 C--N 1.339 0.707 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 177.785 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.9 m -74.25 -55.48 2.91 Favored Pre-proline 0 N--CA 1.485 1.313 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.75 -178.065 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.26 -28.28 47.69 Favored 'Trans proline' 0 CA--C 1.547 1.156 0 CA-C-N 122.519 1.935 . . . . 0.0 113.891 177.567 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.222 0 CA-C-N 119.011 0.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 084 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 118.212 -0.899 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 084 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -93.07 -71.31 0.66 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 -177.293 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -117.98 154.88 31.22 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.086 -1.009 . . . . 0.0 112.008 -178.417 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.99 -40.63 89.84 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.514 -0.741 . . . . 0.0 112.591 -177.318 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -48.82 -40.14 28.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.462 1.905 . . . . 0.0 113.315 177.171 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -98.76 -29.37 13.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 177.514 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.4 -50.97 71.91 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.431 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.68 -57.02 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.933 1.242 . . . . 0.0 111.022 -177.435 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.51 -42.88 83.65 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.849 -0.532 . . . . 0.0 110.964 177.268 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.86 87.63 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.758 1.171 . . . . 0.0 112.395 177.354 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.35 -44.21 97.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.725 1.262 . . . . 0.0 110.227 177.454 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.12 -53.11 62.0 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.58 0.627 . . . . 0.0 109.962 177.236 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -58.2 -45.38 87.73 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.442 1.097 . . . . 0.0 112.789 177.997 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.9 -43.21 96.66 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.512 1.051 . . . . 0.0 113.047 -178.792 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.41 -36.77 74.23 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.065 -1.445 . . . . 0.0 110.265 176.052 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -62.85 -36.43 83.21 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.016 0.826 . . . . 0.0 110.347 177.1 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.82 -41.39 91.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.58 1.152 . . . . 0.0 109.599 178.956 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.01 -48.13 77.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.423 -0.798 . . . . 0.0 108.965 177.991 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt -55.88 -42.22 75.61 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 124.736 1.215 . . . . 0.0 109.222 177.412 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -60.5 -41.18 93.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.701 1.2 . . . . 0.0 110.417 177.127 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -62.32 -46.11 90.2 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.492 -1.38 . . . . 0.0 109.738 175.963 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -64.42 -34.3 77.87 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 118.978 0.808 . . . . 0.0 111.678 176.93 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.27 -39.9 92.1 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.497 176.61 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.65 93.29 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.445 1.09 . . . . 0.0 108.552 176.583 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -67.19 -41.16 86.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.928 -1.108 . . . . 0.0 108.713 179.95 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.65 -48.61 80.99 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.007 -1.058 . . . . 0.0 113.039 177.124 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -71.52 -30.62 66.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.365 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.77 -59.16 1.28 Allowed Glycine 0 C--N 1.346 1.095 0 N-CA-C 117.183 1.633 . . . . 0.0 117.183 -177.886 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -101.4 -10.11 20.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -177.899 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.33 -62.67 1.09 Allowed Glycine 0 N--CA 1.472 1.072 0 O-C-N 118.644 -2.535 . . . . 0.0 113.659 -176.793 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 m -69.46 -53.58 12.6 Favored Pre-proline 0 N--CA 1.488 1.448 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -177.909 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.31 -5.01 13.91 Favored 'Trans proline' 0 CA--C 1.564 1.983 0 CA-C-O 113.657 -2.726 . . . . 0.0 117.83 175.37 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.72 0 O-C-N 126.028 2.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 085 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.504 2.241 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 . . . . . . . . . 0 0 . 1 . 085 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -54.28 -74.07 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 117.725 2.491 . . . . 0.0 117.725 -179.611 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -117.43 152.99 33.86 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 122.418 1.104 . . . . 0.0 113.928 -179.539 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.05 -46.05 90.83 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.204 1.002 . . . . 0.0 112.261 -177.403 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -48.43 -60.83 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.717 2.007 . . . . 0.0 113.386 -178.745 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.2 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.511 -0.281 . . . . 0.0 111.369 -179.87 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.3 t -67.02 -40.32 87.24 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.055 -1.028 . . . . 0.0 113.717 -178.657 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.88 -49.69 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 CA-C-N 119.148 0.885 . . . . 0.0 109.777 177.291 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.59 -42.59 98.27 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.194 178.892 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.52 56.64 Favored Glycine 0 N--CA 1.472 1.087 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 177.188 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.91 -52.03 67.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 118.316 -0.849 . . . . 0.0 108.942 178.742 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.19 -48.97 77.42 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.824 0.738 . . . . 0.0 112.809 -178.328 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.8 m -60.56 -34.95 74.92 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 119.111 0.869 . . . . 0.0 109.537 177.132 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -70.94 -39.73 72.46 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 116.156 -1.878 . . . . 0.0 107.532 179.448 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 -179.821 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.44 -38.22 90.31 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.823 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -69.83 -31.51 69.43 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.335 -179.411 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -62.06 -40.53 96.11 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.905 1.23 . . . . 0.0 109.074 175.361 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.8 -38.03 89.05 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.206 0.941 . . . . 0.0 110.117 175.918 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.46 -35.28 80.42 Favored 'General case' 0 C--N 1.366 1.324 0 CA-C-N 118.715 0.689 . . . . 0.0 109.213 177.363 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -64.87 -44.42 89.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.017 -1.677 . . . . 0.0 108.77 178.45 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -64.87 -43.78 91.86 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.407 -0.808 . . . . 0.0 110.013 178.014 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.25 -44.22 95.44 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 126.251 1.82 . . . . 0.0 111.805 176.987 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.8 96.39 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 123.853 0.861 . . . . 0.0 109.779 176.306 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -62.76 -43.61 98.34 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.168 0.987 . . . . 0.0 109.739 177.832 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -61.74 -33.52 74.19 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.2 1.0 . . . . 0.0 110.459 178.154 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -75.88 -54.12 7.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.103 0.961 . . . . 0.0 112.991 177.342 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.89 -14.39 72.69 Favored Glycine 0 CA--C 1.541 1.684 0 N-CA-C 117.744 1.858 . . . . 0.0 117.744 -177.389 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.69 -20.96 0.82 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 119.355 1.578 . . . . 0.0 113.58 -177.927 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.52 -51.68 4.24 Favored Glycine 0 N--CA 1.487 2.054 0 O-C-N 120.628 -1.295 . . . . 0.0 112.556 179.095 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.2 m -63.51 -47.82 82.46 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 126.611 1.965 . . . . 0.0 112.949 -178.28 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.4 -2.56 8.46 Favored 'Trans proline' 0 CA--C 1.548 1.178 0 C-N-CA 123.474 2.783 . . . . 0.0 115.698 177.121 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.678 0 O-C-N 118.915 -2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 086 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 . . . . . . . . . 0 0 . 1 . 086 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -63.82 -52.59 59.49 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 -177.326 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -116.96 170.44 8.63 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.018 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.8 mt -77.98 -78.68 0.13 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.138 1.375 . . . . 0.0 109.726 178.18 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -23.88 -69.41 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -178.085 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.261 80.1 p -68.83 -34.08 74.91 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 177.244 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.2 t -69.69 -39.56 76.88 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.089 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.37 -49.52 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.393 1.477 . . . . 0.0 108.762 177.026 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.89 -52.32 65.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.709 0.804 . . . . 0.0 110.798 177.497 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.23 59.51 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 123.867 0.746 . . . . 0.0 112.171 177.522 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -61.15 -50.39 73.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.632 0.773 . . . . 0.0 111.092 177.237 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.15 -52.8 57.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.057 1.343 . . . . 0.0 112.26 178.105 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.94 -36.84 80.39 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.462 0.705 . . . . 0.0 111.601 177.058 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -70.66 -41.26 72.33 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 119.825 1.193 . . . . 0.0 111.101 178.606 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 52.0 mm-40 -63.96 -37.52 87.72 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.045 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -66.07 -38.74 89.07 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.263 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.95 -37.59 88.15 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.44 -0.788 . . . . 0.0 110.066 178.69 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 86.9 mttt -62.02 -44.88 95.77 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.461 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.7 mt -63.13 -33.41 75.41 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-O 117.355 -1.307 . . . . 0.0 108.615 -179.734 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.24 -35.43 80.39 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 119.566 1.075 . . . . 0.0 109.108 176.321 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -65.66 -42.78 90.98 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.092 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -64.46 -44.84 89.8 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.035 0.534 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 tp -57.02 -49.2 76.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.121 1.768 . . . . 0.0 111.881 176.629 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.74 78.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.943 . . . . 0.0 110.474 177.858 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -59.03 -43.51 91.61 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.167 0.987 . . . . 0.0 111.874 178.133 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.26 -31.87 73.25 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.158 -0.964 . . . . 0.0 112.006 178.009 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.4 m -75.72 -46.85 28.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.367 1.467 . . . . 0.0 112.575 179.604 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.92 -18.04 48.97 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 116.589 1.395 . . . . 0.0 116.589 -178.81 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -130.25 -51.52 1.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.625 1.213 . . . . 0.0 113.807 -177.5 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.54 -26.49 64.61 Favored Glycine 0 C--N 1.352 1.47 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -177.666 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 m -101.57 -51.51 0.17 Allowed Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 117.125 -1.416 . . . . 0.0 113.333 177.33 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -72.05 -10.44 26.02 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 C-N-CA 123.346 2.698 . . . . 0.0 114.917 179.254 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.165 0 CA-C-N 120.773 1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 087 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 087 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.68 -59.69 3.81 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 117.287 2.329 . . . . 0.0 117.287 -178.478 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -125.93 163.68 22.45 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.075 1.35 . . . . 0.0 110.7 -179.589 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt -78.82 -36.2 43.0 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 174.556 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -42.71 -64.94 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.444 1.498 . . . . 0.0 114.608 -176.871 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -81.81 -19.95 40.09 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.282 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.92 -43.6 62.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 119.629 -1.92 . . . . 0.0 111.899 178.939 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.1 -52.5 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 124.637 1.175 . . . . 0.0 109.492 177.352 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -44.72 91.79 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.309 0.644 . . . . 0.0 111.147 177.425 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.36 90.03 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.488 -0.618 . . . . 0.0 111.721 176.994 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.91 -46.51 87.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.1 177.29 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 mt -55.16 -51.75 65.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.932 1.242 . . . . 0.0 110.269 177.388 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -61.28 -40.31 93.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.582 0.753 . . . . 0.0 112.545 177.452 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -69.37 -42.14 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.667 1.122 . . . . 0.0 112.033 177.625 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -66.72 -34.58 78.15 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 120.38 1.445 . . . . 0.0 108.861 176.577 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.24 -44.11 96.13 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 174.582 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.78 -35.8 81.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 120.02 -1.675 . . . . 0.0 109.299 179.576 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -66.99 -40.14 87.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.173 -1.579 . . . . 0.0 107.393 178.67 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.64 -43.83 97.81 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.287 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.8 -36.87 82.37 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.769 -1.207 . . . . 0.0 109.163 177.03 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -64.99 -50.08 67.71 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.835 1.254 . . . . 0.0 109.841 176.043 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -58.09 -42.37 85.47 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.726 -1.234 . . . . 0.0 110.654 177.275 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.31 -44.88 95.49 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 126.065 1.746 . . . . 0.0 109.65 179.056 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.08 -53.31 57.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.874 1.27 . . . . 0.0 111.066 175.858 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.8 m -57.28 -38.76 74.44 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.087 -1.633 . . . . 0.0 110.864 177.178 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -68.26 -37.8 81.09 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.097 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.7 m -68.22 -43.34 78.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.173 1.389 . . . . 0.0 112.533 178.212 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.09 49.14 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 -177.056 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 m -136.02 -47.5 0.66 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.144 1.472 . . . . 0.0 114.567 179.429 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.43 -42.45 98.98 Favored Glycine 0 CA--C 1.538 1.509 0 O-C-N 121.023 -1.048 . . . . 0.0 113.757 -178.508 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 m -77.72 -51.03 1.88 Allowed Pre-proline 0 N--CA 1.475 0.823 0 CA-C-O 116.617 -1.659 . . . . 0.0 113.351 179.677 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -72.6 -19.47 24.48 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 CA-C-O 115.287 -2.047 . . . . 0.0 115.76 178.163 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.582 0 CA-C-N 122.172 2.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 088 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 088 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -35.53 -73.46 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.453 2.701 . . . . 0.0 116.712 -177.181 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -131.0 155.74 46.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.984 1.313 . . . . 0.0 111.236 -178.542 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.5 -46.77 71.95 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.463 0.705 . . . . 0.0 112.357 -179.784 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -43.91 -56.0 4.21 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.843 1.657 . . . . 0.0 113.667 -177.288 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -77.57 -41.34 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -61.5 -35.03 76.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.555 0.742 . . . . 0.0 112.959 -177.692 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.68 -52.28 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.699 1.199 . . . . 0.0 109.945 177.249 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.8 -51.63 68.94 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.14 0.976 . . . . 0.0 111.631 177.689 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.42 -49.74 50.44 Favored Glycine 0 N--CA 1.47 0.936 0 C-N-CA 124.621 1.105 . . . . 0.0 112.191 177.843 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -60.83 -50.14 74.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.599 177.483 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.1 tp -54.97 -47.58 74.36 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.556 178.426 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -43.36 91.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 117.536 -1.221 . . . . 0.0 112.296 177.539 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -67.43 -42.45 83.15 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.813 1.188 . . . . 0.0 112.038 177.034 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 12.7 mm-40 -65.42 -39.85 92.64 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.181 0.901 . . . . 0.0 109.157 179.695 . . . . . . . . 2 2 . 1 . 088 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.2 -37.34 87.12 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.392 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -65.82 -39.12 90.57 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 122.019 -0.425 . . . . 0.0 110.164 177.53 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 89.1 mttt -62.87 -35.18 79.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.219 -0.926 . . . . 0.0 109.393 177.44 . . . . . . . . 2 2 . 1 . 088 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 176.892 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -59.23 -41.81 89.54 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.541 1.064 . . . . 0.0 109.692 176.785 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -60.29 -54.58 44.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.622 1.169 . . . . 0.0 111.077 177.194 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -56.3 -45.54 80.21 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.728 -1.232 . . . . 0.0 112.064 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.82 -36.76 84.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.64 1.176 . . . . 0.0 112.225 176.762 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.81 -48.19 72.53 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.015 -1.053 . . . . 0.0 109.157 177.189 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.1 m -56.79 -41.17 77.22 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.617 1.567 . . . . 0.0 110.269 176.578 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -63.82 -41.71 97.81 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.479 -1.388 . . . . 0.0 110.101 178.463 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.4 m -69.48 -35.39 75.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.793 0.837 . . . . 0.0 111.733 -179.113 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.95 -24.89 23.89 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 115.974 1.149 . . . . 0.0 115.974 -177.14 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -135.45 -38.88 0.74 Allowed 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.767 1.283 . . . . 0.0 114.004 -178.261 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.13 -46.07 94.04 Favored Glycine 0 CA--C 1.539 1.578 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -178.618 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.6 m -71.76 -52.93 7.61 Favored Pre-proline 0 N--CA 1.468 0.439 0 CA-C-O 117.328 -1.32 . . . . 0.0 111.568 177.651 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -57.19 -41.82 69.81 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.547 2.165 . . . . 0.0 113.282 178.119 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.124 0 O-C-N 121.358 -0.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 089 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 089 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -45.47 -63.81 0.87 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 -177.257 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -123.59 149.73 44.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.914 0.885 . . . . 0.0 112.211 -179.423 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.09 -47.03 72.45 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.035 0.934 . . . . 0.0 113.035 -179.864 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -45.31 -60.52 2.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.604 1.561 . . . . 0.0 113.72 -177.336 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -73.1 -37.28 66.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.51 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -69.12 -48.59 62.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.401 1.001 . . . . 0.0 113.684 -177.414 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -55.09 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.733 1.213 . . . . 0.0 110.119 -179.283 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.06 -44.37 96.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.931 -0.557 . . . . 0.0 110.598 177.518 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.19 -49.92 54.08 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.775 1.178 . . . . 0.0 112.647 177.184 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -60.02 -50.79 72.33 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 117.569 0.684 . . . . 0.0 110.258 177.332 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -55.17 -45.92 75.77 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.11 0.564 . . . . 0.0 111.25 177.471 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -63.96 -41.38 97.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.82 0.848 . . . . 0.0 111.019 178.676 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.6 -45.21 87.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.431 1.014 . . . . 0.0 111.553 177.316 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.32 -38.66 91.84 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.685 -1.259 . . . . 0.0 109.138 177.103 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.82 -39.19 93.65 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.387 -0.821 . . . . 0.0 109.034 176.991 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.41 -40.8 97.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.605 1.162 . . . . 0.0 109.396 177.321 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -62.02 -42.21 98.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.411 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.87 -42.43 93.72 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.809 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.16 -38.01 87.4 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.467 177.137 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -63.32 -42.4 98.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.098 1.317 . . . . 0.0 109.839 176.93 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.08 -43.28 95.92 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.235 -0.915 . . . . 0.0 109.562 177.395 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.67 -45.95 90.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.098 0.959 . . . . 0.0 110.08 177.305 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.32 84.63 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.278 0.944 . . . . 0.0 109.706 177.277 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.3 m -62.8 -35.57 80.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.524 1.13 . . . . 0.0 110.438 177.059 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -69.88 -51.24 34.85 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.167 -0.958 . . . . 0.0 111.226 177.146 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -59.7 -26.91 65.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.444 1.497 . . . . 0.0 113.174 177.721 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.28 -48.75 2.34 Favored Glycine 0 N--CA 1.472 1.059 0 C-N-CA 124.356 0.979 . . . . 0.0 113.868 179.757 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -117.31 -48.99 2.6 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -177.355 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.08 -30.34 16.54 Favored Glycine 0 N--CA 1.477 1.406 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -177.423 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 m -115.41 -51.75 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 CA-C-O 117.044 -1.455 . . . . 0.0 112.556 177.994 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -67.06 -9.78 26.25 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.32 2.013 . . . . 0.0 116.258 179.458 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 120.133 1.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 090 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.468 0.433 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 090 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -61.69 -36.43 80.87 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 118.109 2.633 . . . . 0.0 118.109 -175.076 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -145.44 156.08 43.53 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 120.726 1.603 . . . . 0.0 113.596 -178.119 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.55 -39.18 84.97 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.837 0.855 . . . . 0.0 111.554 177.541 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -45.02 -52.19 9.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.128 1.771 . . . . 0.0 112.681 -177.939 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -88.59 -40.49 13.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 178.041 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.36 -34.15 77.5 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.367 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -74.24 -52.8 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.905 0.882 . . . . 0.0 109.7 177.395 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.84 -44.97 91.07 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.188 0.595 . . . . 0.0 112.05 177.987 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.34 -49.63 67.39 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 118.993 0.815 . . . . 0.0 112.333 177.409 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.36 -42.17 98.88 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 119.137 -0.458 . . . . 0.0 110.766 177.197 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.37 -47.23 84.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 109.727 177.416 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -40.81 96.4 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.932 0.893 . . . . 0.0 110.2 177.79 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -64.37 -43.79 93.4 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-N 119.856 1.207 . . . . 0.0 109.808 178.351 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.56 -36.49 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.764 0.711 . . . . 0.0 109.99 176.346 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.85 -38.88 92.47 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.865 -1.772 . . . . 0.0 108.296 177.524 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -36.02 82.87 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 177.491 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.48 -48.59 72.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 176.561 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -54.85 -45.55 74.53 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.938 1.295 . . . . 0.0 110.805 176.992 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -59.91 -47.73 84.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.026 0.93 . . . . 0.0 109.263 177.505 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.7 m -62.6 -40.11 95.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.064 1.345 . . . . 0.0 112.239 177.702 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -61.29 -52.55 64.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.348 1.059 . . . . 0.0 109.822 177.669 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.33 -51.16 70.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.313 1.045 . . . . 0.0 111.641 177.344 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.48 76.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.528 0.731 . . . . 0.0 111.283 177.506 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.8 m -66.4 -38.04 86.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.809 0.844 . . . . 0.0 110.535 177.862 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.18 -43.26 99.22 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.278 0.945 . . . . 0.0 111.758 177.731 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -19.17 65.2 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.017 1.727 . . . . 0.0 113.116 178.32 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.78 -45.21 0.66 Allowed Glycine 0 N--CA 1.475 1.285 0 CA-C-N 119.454 1.025 . . . . 0.0 115.234 179.7 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 m -117.27 -9.82 10.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.726 2.01 . . . . 0.0 115.635 -178.149 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.66 -60.64 1.86 Allowed Glycine 0 N--CA 1.474 1.206 0 CA-C-N 119.748 1.158 . . . . 0.0 112.802 -178.253 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.6 m -90.54 -51.2 0.33 Allowed Pre-proline 0 N--CA 1.485 1.279 0 CA-C-O 117.296 -1.335 . . . . 0.0 112.35 -179.637 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.87 -36.75 22.3 Favored 'Trans proline' 0 CA--C 1.55 1.317 0 C-N-CA 122.084 1.856 . . . . 0.0 113.462 178.229 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.1 0 CA-C-N 119.414 1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 091 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 091 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -43.59 61.39 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 129.53 3.132 . . . . 0.0 117.312 -176.451 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -139.64 155.02 47.66 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.708 1.203 . . . . 0.0 112.07 177.944 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -73.25 -36.78 66.45 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.683 0.793 . . . . 0.0 112.459 179.286 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -47.79 -50.51 25.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.858 1.663 . . . . 0.0 112.625 -177.594 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.3 p -84.02 -41.78 16.87 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.505 0.722 . . . . 0.0 112.494 177.673 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -63.24 -48.89 76.31 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.144 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.41 -57.12 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.204 0.911 . . . . 0.0 112.88 177.435 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.95 -40.06 94.43 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.753 0.821 . . . . 0.0 112.003 -179.738 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.15 -42.25 97.03 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 123.956 0.789 . . . . 0.0 112.077 176.263 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.39 -43.03 91.93 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 117.004 -1.474 . . . . 0.0 109.008 177.131 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.44 -39.21 70.01 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.154 0.909 . . . . 0.0 109.466 177.253 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -63.92 -46.11 86.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.794 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.92 -38.64 91.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.38 -44.46 94.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.983 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.3 -39.38 90.24 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.337 1.055 . . . . 0.0 109.21 177.025 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.58 -39.28 91.44 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.308 -0.87 . . . . 0.0 109.559 177.456 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -62.66 -35.69 80.45 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.655 -1.278 . . . . 0.0 109.025 176.667 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.24 -39.67 91.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.445 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.45 -39.47 94.56 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.38 -1.45 . . . . 0.0 108.399 176.99 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -64.94 -40.74 95.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 0.0 109.224 177.908 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.54 -42.4 95.75 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.026 -1.464 . . . . 0.0 108.348 177.112 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -56.39 -51.47 68.21 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 121.002 1.728 . . . . 0.0 109.394 178.139 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -44.67 88.84 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.971 0.908 . . . . 0.0 111.521 177.421 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -60.91 -37.6 82.84 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.862 0.865 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -68.0 -54.55 17.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.102 1.361 . . . . 0.0 108.686 177.26 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.6 m -51.72 -36.64 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.629 1.972 . . . . 0.0 113.757 177.192 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.52 -36.07 6.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.111 -1.383 . . . . 0.0 115.653 -178.652 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -133.98 -49.01 0.8 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.259 1.529 . . . . 0.0 114.724 -177.154 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.97 -42.31 47.23 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 116.316 1.286 . . . . 0.0 116.316 -177.164 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -53.67 0.28 Allowed Pre-proline 0 N--CA 1.479 0.98 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.851 178.258 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -56.69 -45.57 35.88 Favored 'Trans proline' 0 CA--C 1.553 1.441 0 C-N-CA 123.436 2.757 . . . . 0.0 115.914 -179.313 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.362 1.147 0 CA-C-N 119.1 0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 092 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 . . . . . . . . . 0 0 . 1 . 092 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -70.44 -56.65 6.12 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 117.831 2.53 . . . . 0.0 117.831 -179.488 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -136.73 155.56 49.68 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.425 1.466 . . . . 0.0 113.583 -177.705 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.18 -42.57 99.39 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -179.835 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -50.9 -30.5 14.84 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.356 1.863 . . . . 0.0 113.743 -178.288 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.4 p -111.43 -35.42 5.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.024 1.329 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.82 -44.69 72.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.662 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.23 -43.96 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.443 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.31 -47.78 84.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 110.976 177.007 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.15 98.22 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-O 118.44 -1.2 . . . . 0.0 113.159 177.575 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -66.15 -43.75 86.12 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.146 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.8 tp -58.97 -46.24 88.57 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.327 0.651 . . . . 0.0 109.279 177.185 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -58.84 -46.06 88.59 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.843 -1.16 . . . . 0.0 110.591 177.591 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -58.58 -55.23 37.79 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.416 1.086 . . . . 0.0 111.06 178.065 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 32.8 mm-40 -61.0 -41.15 95.98 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.317 -0.865 . . . . 0.0 111.45 179.179 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.7 -36.88 84.89 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.916 -1.115 . . . . 0.0 109.635 178.344 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -67.76 -34.24 76.42 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.368 -1.457 . . . . 0.0 108.96 178.262 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 86.3 mttt -64.74 -42.84 94.88 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.967 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.62 -41.28 90.07 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.717 178.428 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.2 -40.38 89.89 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.072 1.305 . . . . 0.0 109.304 178.106 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -68.08 -41.29 82.11 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.743 1.217 . . . . 0.0 109.85 177.85 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -61.07 -36.23 79.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.233 1.013 . . . . 0.0 109.598 178.702 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.349 0.977 . . . . 0.0 108.944 178.309 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.79 91.21 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 119.67 1.123 . . . . 0.0 108.875 177.033 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.8 m -64.72 -35.14 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.068 0.855 . . . . 0.0 109.322 -179.759 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.49 -45.82 82.13 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.622 -1.299 . . . . 0.0 110.608 177.92 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -58.21 -39.4 78.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.524 1.13 . . . . 0.0 112.17 178.51 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -24.75 20.44 Favored Glycine 0 N--CA 1.468 0.819 0 N-CA-C 116.989 1.556 . . . . 0.0 116.989 -178.35 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -136.77 -47.87 0.61 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -177.228 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.69 -25.02 58.06 Favored Glycine 0 N--CA 1.486 1.97 0 C-N-CA 126.664 2.078 . . . . 0.0 117.582 -177.602 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.6 m -106.19 -48.66 0.11 Allowed Pre-proline 0 N--CA 1.503 2.225 0 CA-C-O 116.639 -1.648 . . . . 0.0 109.441 179.702 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.0 -21.75 72.51 Favored 'Trans proline' 0 CA--C 1.579 2.765 0 C-N-CA 123.857 3.038 . . . . 0.0 114.83 178.362 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.925 0 CA-C-N 117.806 0.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 093 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 093 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -50.94 -67.7 0.23 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -176.709 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -139.48 150.66 45.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.206 0.912 . . . . 0.0 111.22 178.047 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.08 -38.91 89.46 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -177.501 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -52.93 -34.39 55.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.605 1.562 . . . . 0.0 113.266 -178.435 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 p -102.49 -33.07 9.65 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.197 0.999 . . . . 0.0 113.077 176.803 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.94 -42.29 97.36 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.198 -178.229 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.32 -58.53 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.503 1.047 . . . . 0.0 110.902 178.208 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.11 -42.84 91.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.574 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.41 -48.65 74.26 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.199 0.904 . . . . 0.0 111.356 177.744 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.35 -46.37 86.9 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.06 177.172 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.05 -45.3 75.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.055 0.843 . . . . 0.0 112.143 177.329 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.19 -40.4 93.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.3 1.04 . . . . 0.0 111.154 177.328 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -65.43 -45.66 82.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.549 0.74 . . . . 0.0 109.662 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 51.1 mm-40 -64.26 -35.87 82.24 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.443 -0.786 . . . . 0.0 110.181 176.982 . . . . . . . . 2 2 . 1 . 093 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.23 -40.19 90.09 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.865 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -66.04 -39.86 90.51 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 92.8 mttt -56.15 -40.81 74.41 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.893 0.877 . . . . 0.0 110.353 176.445 . . . . . . . . 2 2 . 1 . 093 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.1 mt -55.76 -39.39 71.15 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.933 0.788 . . . . 0.0 110.009 179.577 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -63.36 -45.56 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.856 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -40.37 97.06 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 111.176 177.619 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.1 m-30 -62.85 -47.07 84.99 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.162 0.985 . . . . 0.0 110.245 176.0 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.26 -43.92 92.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.573 1.549 . . . . 0.0 111.063 177.61 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.39 81.53 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -61.41 -40.13 93.3 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 111.94 177.533 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -64.03 -49.48 72.22 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.452 1.101 . . . . 0.0 111.857 176.017 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.8 m -63.42 -40.19 96.52 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.501 1.12 . . . . 0.0 111.626 178.865 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.63 -13.06 68.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 -178.001 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -156.84 -42.93 0.07 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.878 1.839 . . . . 0.0 115.128 -179.131 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.63 -63.79 4.91 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.718 1.151 . . . . 0.0 115.584 -177.473 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.8 m -67.12 -50.34 41.34 Favored Pre-proline 0 N--CA 1.471 0.6 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.851 177.749 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.03 -48.3 21.67 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.941 2.427 . . . . 0.0 113.949 178.268 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 120.874 -1.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 094 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 094 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -53.21 -55.04 27.52 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -176.567 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -130.87 141.97 50.34 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.985 0.914 . . . . 0.0 110.835 178.895 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.34 -52.6 45.43 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -177.481 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -43.04 -46.52 5.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.448 1.899 . . . . 0.0 114.701 -178.113 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -81.98 -43.59 17.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.784 0.802 . . . . 0.0 112.082 177.931 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -55.19 -57.76 10.44 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -178.056 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -44.62 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 120.184 1.356 . . . . 0.0 114.239 -178.301 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.84 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.933 1.242 . . . . 0.0 110.071 177.321 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.91 98.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 177.273 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -62.83 -46.71 86.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.151 -0.928 . . . . 0.0 108.829 177.148 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.08 -44.26 78.8 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.03 0.832 . . . . 0.0 109.922 177.566 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.62 -47.13 85.4 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.963 0.801 . . . . 0.0 110.184 177.371 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.15 -36.38 79.57 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 179.618 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 40.1 mm-40 -66.94 -40.94 87.68 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.238 1.381 . . . . 0.0 108.389 176.872 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 120.22 -1.55 . . . . 0.0 108.991 176.327 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.38 -39.5 92.33 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 177.475 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 86.9 mttt -61.92 -39.84 93.43 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.965 -1.084 . . . . 0.0 109.824 175.46 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.7 -40.46 88.01 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.135 0.88 . . . . 0.0 109.694 175.771 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.41 -40.28 96.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.018 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -65.01 -37.6 88.16 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.759 1.224 . . . . 0.0 110.84 176.346 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -66.05 -46.73 76.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.779 1.231 . . . . 0.0 108.606 177.353 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.28 -47.61 83.1 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.358 0.981 . . . . 0.0 110.038 178.29 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.29 48.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.758 0.823 . . . . 0.0 110.456 177.52 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -57.52 -36.63 71.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.349 1.06 . . . . 0.0 112.181 178.002 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -68.15 -46.56 70.44 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.425 -0.797 . . . . 0.0 111.357 177.054 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.8 m -61.06 -34.21 74.54 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.894 1.678 . . . . 0.0 112.189 178.858 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.18 -16.34 25.56 Favored Glycine 0 CA--C 1.541 1.669 0 N-CA-C 117.012 1.565 . . . . 0.0 117.012 -178.972 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -152.96 -36.34 0.11 Allowed 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -178.155 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.47 -49.53 64.58 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 117.848 -1.529 . . . . 0.0 115.645 -177.527 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.6 m -60.77 -52.94 68.94 Favored Pre-proline 0 N--CA 1.491 1.621 0 CA-C-N 119.176 1.488 . . . . 0.0 110.633 177.435 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.27 -38.32 91.39 Favored 'Trans proline' 0 CA--C 1.55 1.293 0 C-N-CA 122.199 1.933 . . . . 0.0 112.197 -179.968 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 119.115 0.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 095 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 095 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.25 -47.52 9.37 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -178.327 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -140.66 165.44 27.48 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 126.241 1.816 . . . . 0.0 109.906 177.119 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.3 mt -81.98 -52.63 6.86 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.192 -0.943 . . . . 0.0 112.965 178.806 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -39.34 -64.42 0.47 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.001 2.12 . . . . 0.0 115.497 -177.203 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.4 p -74.62 -25.57 59.32 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.209 -0.932 . . . . 0.0 111.691 -179.198 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.86 -43.25 84.07 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.613 -1.305 . . . . 0.0 109.717 178.18 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.06 -53.82 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.436 1.495 . . . . 0.0 109.097 177.286 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 tp -56.39 -46.79 79.94 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.664 0.786 . . . . 0.0 111.846 178.748 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.69 -49.62 75.56 Favored Glycine 0 CA--C 1.544 1.876 0 C-N-CA 124.577 1.084 . . . . 0.0 110.402 179.27 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.19 -42.35 99.33 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.086 177.163 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.07 -48.97 72.79 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.762 1.619 . . . . 0.0 109.84 177.29 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -64.75 -46.84 80.5 Favored 'General case' 0 C--O 1.245 0.86 0 O-C-N 121.422 -0.799 . . . . 0.0 109.742 179.536 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -62.35 -45.49 92.94 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 119.831 -1.793 . . . . 0.0 111.645 -179.595 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.98 -34.3 77.78 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 -179.465 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.7 -38.7 87.27 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 119.679 -1.888 . . . . 0.0 108.833 176.761 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.49 -41.54 96.4 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.126 177.013 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.51 -40.76 97.89 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 120.798 -1.189 . . . . 0.0 108.946 177.471 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.21 -45.51 83.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.818 0.847 . . . . 0.0 108.748 177.059 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.35 -37.38 85.43 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.694 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -66.1 -41.41 90.66 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.346 1.058 . . . . 0.0 111.377 177.633 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.57 -41.55 92.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.392 1.451 . . . . 0.0 108.584 176.616 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.45 -39.96 92.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.011 0.924 . . . . 0.0 110.083 177.164 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.35 82.13 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.974 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.4 m -59.51 -40.67 87.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.883 1.673 . . . . 0.0 109.326 177.159 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -68.54 -43.27 77.05 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.892 -1.13 . . . . 0.0 110.353 177.918 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.1 m -65.26 -34.81 79.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.31 1.444 . . . . 0.0 114.383 177.5 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.62 -14.52 37.37 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.92 1.528 . . . . 0.0 116.92 179.425 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 m -144.27 -49.76 0.28 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.14 1.47 . . . . 0.0 114.222 -177.877 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.19 -60.67 8.52 Favored Glycine 0 CA--C 1.551 2.315 0 C-N-CA 124.848 1.213 . . . . 0.0 115.351 -175.944 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -70.73 -47.48 16.58 Favored Pre-proline 0 N--CA 1.492 1.627 0 CA-C-O 116.89 -1.528 . . . . 0.0 111.314 177.776 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -57.35 -32.17 93.1 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 C-N-CA 123.261 2.641 . . . . 0.0 113.921 178.828 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 120.702 1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 096 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 096 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.33 -73.38 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 -178.177 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -131.93 149.32 52.47 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.627 1.171 . . . . 0.0 112.373 -177.537 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.22 -49.7 76.09 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.154 0.981 . . . . 0.0 113.581 -178.937 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -50.38 -49.02 55.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.792 1.237 . . . . 0.0 112.248 -175.149 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -82.46 -36.64 26.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 177.223 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.51 -49.09 70.25 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.83 -1.169 . . . . 0.0 112.47 -178.409 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.05 -49.16 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 120.855 -1.153 . . . . 0.0 110.353 177.537 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tp -54.92 -52.6 62.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.486 1.114 . . . . 0.0 111.222 177.381 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.86 -48.55 84.88 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.68 1.609 . . . . 0.0 112.093 178.068 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.71 -47.06 86.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.495 1.147 . . . . 0.0 110.913 177.305 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.65 -50.16 70.97 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.615 1.098 . . . . 0.0 109.512 177.272 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.1 -42.39 98.43 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 120.821 -1.175 . . . . 0.0 110.507 178.288 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -63.72 -45.7 88.76 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 120.687 -1.258 . . . . 0.0 110.8 177.121 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 33.9 mm-40 -61.38 -37.07 82.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 121.601 2.001 . . . . 0.0 107.925 177.981 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.43 -35.25 78.87 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.161 -0.962 . . . . 0.0 108.407 178.591 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -68.09 -37.49 81.26 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.874 0.87 . . . . 0.0 109.112 177.355 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 91.4 mttt -63.48 -46.37 86.49 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.322 -1.486 . . . . 0.0 107.201 176.234 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.81 -43.85 85.99 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.968 1.307 . . . . 0.0 109.705 176.966 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.74 -39.04 92.86 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.137 0.975 . . . . 0.0 109.268 177.13 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.0 m -65.61 -42.61 91.4 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.148 1.379 . . . . 0.0 109.615 177.205 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -64.96 -41.83 95.13 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 120.988 -1.07 . . . . 0.0 108.986 178.11 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.97 -42.3 99.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.588 1.155 . . . . 0.0 110.446 178.091 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.33 -49.35 74.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.064 0.946 . . . . 0.0 108.935 177.586 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.5 m -57.46 -43.14 83.75 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.101 1.36 . . . . 0.0 110.723 177.141 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.21 -39.89 89.94 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.316 -0.865 . . . . 0.0 111.787 177.21 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -70.69 -33.99 71.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.31 1.044 . . . . 0.0 113.122 178.124 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 -23.45 31.3 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 115.679 1.031 . . . . 0.0 115.679 179.493 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 m -147.84 -39.87 0.18 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.276 1.538 . . . . 0.0 115.063 -177.483 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.13 -60.34 9.1 Favored Glycine 0 CA--C 1.543 1.793 0 CA-C-N 120.162 1.346 . . . . 0.0 115.485 -178.428 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 m -74.0 -47.01 6.58 Favored Pre-proline 0 N--CA 1.469 0.523 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.104 177.973 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -65.41 -8.08 17.87 Favored 'Trans proline' 0 CA--C 1.561 1.87 0 C-N-CA 123.843 3.029 . . . . 0.0 115.989 177.881 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.988 0 O-C-N 118.263 -2.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 097 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 097 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -40.74 -58.57 1.61 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.114 2.566 . . . . 0.0 116.172 -175.873 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -126.88 155.2 43.36 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.095 0.958 . . . . 0.0 111.363 176.297 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -71.99 -62.4 1.44 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 117.942 -1.027 . . . . 0.0 112.782 -179.518 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -35.45 -61.54 0.44 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.047 1.739 . . . . 0.0 115.682 -177.055 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.6 p -64.71 -45.91 84.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.947 -0.471 . . . . 0.0 111.664 179.989 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.0 t -58.83 -38.05 77.81 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.959 1.304 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.66 -52.92 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.608 1.563 . . . . 0.0 110.123 177.233 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.63 -45.16 89.85 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.167 0.587 . . . . 0.0 111.716 178.041 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.59 -52.66 51.76 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.347 1.451 . . . . 0.0 111.916 175.786 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.585 1.192 . . . . 0.0 111.028 177.176 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.29 -47.7 80.79 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.578 1.081 . . . . 0.0 110.437 177.981 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -62.72 -44.58 95.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.059 -0.972 . . . . 0.0 111.877 176.813 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.86 -45.71 81.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.734 1.152 . . . . 0.0 111.429 -179.629 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 43.4 mm-40 -61.62 -40.17 93.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.944 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.29 -34.79 78.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.706 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -62.94 -35.42 80.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.995 1.718 . . . . 0.0 110.124 178.187 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 92.5 mttt -64.07 -43.0 96.77 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.496 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.03 -46.66 83.43 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 119.278 0.944 . . . . 0.0 109.933 176.887 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -57.0 -34.61 68.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.595 1.558 . . . . 0.0 111.503 177.47 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -66.96 -49.34 65.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.151 0.981 . . . . 0.0 108.715 178.034 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -63.36 -37.58 87.82 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.652 -0.655 . . . . 0.0 111.442 177.118 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.25 -51.64 62.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.73 1.212 . . . . 0.0 110.272 176.986 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.86 74.85 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.128 0.876 . . . . 0.0 110.204 177.626 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.7 m -62.14 -38.83 90.45 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.528 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.63 -40.92 80.12 Favored 'General case' 0 CA--C 1.553 1.062 0 O-C-N 121.042 -1.036 . . . . 0.0 109.551 177.899 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -61.09 -50.88 71.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.497 1.519 . . . . 0.0 111.272 178.695 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.04 -15.79 71.48 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 -177.098 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -139.34 -53.72 0.56 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.363 -1.669 . . . . 0.0 112.463 -176.637 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.84 -56.08 6.89 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.221 1.391 . . . . 0.0 116.221 -177.494 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -53.72 1.01 Allowed Pre-proline 0 N--CA 1.484 1.228 0 CA-C-N 118.998 1.399 . . . . 0.0 113.193 -178.73 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -56.96 -31.59 90.19 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 123.355 2.703 . . . . 0.0 115.353 179.177 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.113 0 O-C-N 120.812 -1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 098 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.498 1.926 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 098 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -36.83 -63.63 0.4 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.639 2.775 . . . . 0.0 116.896 -177.042 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -129.78 145.25 51.57 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 125.177 1.391 . . . . 0.0 108.737 178.691 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.1 tp -68.44 -45.98 71.06 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.942 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -47.32 -63.17 1.12 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.342 1.457 . . . . 0.0 114.165 -179.935 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -63.43 -41.75 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.363 0.529 . . . . 0.0 111.55 -178.89 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.16 -46.66 89.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.876 1.271 . . . . 0.0 112.489 -178.299 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.06 -51.08 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 117.951 -1.024 . . . . 0.0 111.132 177.466 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.66 -50.79 71.03 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 111.977 178.415 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.3 -48.01 65.97 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.91 0.767 . . . . 0.0 112.416 177.587 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.13 -44.5 95.41 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 117.76 0.78 . . . . 0.0 111.29 177.088 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.85 -50.8 71.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.42 0.688 . . . . 0.0 110.807 177.482 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -62.5 -34.91 77.82 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.517 177.318 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.89 -49.22 68.83 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.421 1.009 . . . . 0.0 110.918 177.496 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 25.3 mm-40 -62.5 -38.3 89.37 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.891 -1.131 . . . . 0.0 110.423 176.505 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.24 -39.52 86.99 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.979 -1.076 . . . . 0.0 110.4 175.897 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.29 -37.47 87.62 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.91 1.284 . . . . 0.0 109.508 178.814 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 87.9 mttt -63.99 -45.63 88.16 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 176.618 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.32 -37.86 73.18 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.625 0.77 . . . . 0.0 109.667 177.438 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -63.82 -39.18 93.62 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.754 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.8 m -65.04 -42.53 94.22 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.626 0.771 . . . . 0.0 110.233 177.169 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -64.02 -41.65 97.37 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 121.043 -1.036 . . . . 0.0 111.756 176.74 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.47 -50.4 69.86 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.419 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.11 72.65 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.311 1.044 . . . . 0.0 111.36 176.788 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.3 m -60.45 -40.77 92.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.035 1.334 . . . . 0.0 109.998 176.144 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -68.95 -53.81 18.8 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.362 0.665 . . . . 0.0 111.607 176.592 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -61.21 -44.63 96.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.712 -1.242 . . . . 0.0 113.063 -178.413 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.51 -10.92 67.1 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.397 1.475 . . . . 0.0 116.629 -177.451 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -144.16 -40.97 0.27 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.78 1.79 . . . . 0.0 114.013 178.355 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.69 -42.01 97.7 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 123.506 0.574 . . . . 0.0 114.415 178.93 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.09 -53.31 1.12 Allowed Pre-proline 0 N--CA 1.481 1.094 0 CA-C-O 116.869 -1.538 . . . . 0.0 112.513 177.558 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.73 -37.3 88.04 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.534 2.156 . . . . 0.0 114.371 179.88 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 120.97 -1.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 099 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.221 -0.406 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 099 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -52.59 -20.28 2.9 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 -176.673 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -145.54 151.25 37.84 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.612 1.565 . . . . 0.0 111.061 176.62 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tp -81.77 -45.05 16.17 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 178.956 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -41.48 -70.53 0.1 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 129.703 3.201 . . . . 0.0 115.449 -176.543 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.7 p -75.74 -21.97 56.97 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 177.752 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -68.97 -44.88 72.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.66 0.784 . . . . 0.0 110.771 178.02 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.26 -50.72 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 117.523 -1.227 . . . . 0.0 110.042 177.496 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.52 -47.64 78.93 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.003 0.82 . . . . 0.0 111.228 177.439 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.08 -51.52 49.67 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 124.151 0.882 . . . . 0.0 111.364 177.131 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.02 -45.1 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.846 177.208 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.98 -54.87 37.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.191 0.996 . . . . 0.0 111.396 177.929 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.0 m -63.86 -39.47 94.27 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.564 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -67.67 -48.23 67.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.137 0.88 . . . . 0.0 112.917 178.635 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.79 -42.07 99.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.402 1.001 . . . . 0.0 110.683 177.049 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -62.13 -44.49 96.52 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.77 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.41 -40.52 96.78 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.706 -1.247 . . . . 0.0 110.18 179.975 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -59.18 -48.32 82.06 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.888 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.26 -44.19 92.42 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.88 177.154 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -58.59 -42.32 87.8 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.169 0.988 . . . . 0.0 110.273 176.432 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -67.84 -37.72 82.26 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.862 0.865 . . . . 0.0 109.103 -176.994 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -67.74 -43.74 79.2 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.812 -1.18 . . . . 0.0 107.922 177.727 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.02 -42.4 94.26 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.276 1.43 . . . . 0.0 111.311 177.575 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -43.56 78.67 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.622 1.101 . . . . 0.0 110.612 177.733 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -66.97 -39.24 87.16 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.907 0.883 . . . . 0.0 110.25 177.404 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.35 -49.19 76.56 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.153 0.981 . . . . 0.0 110.722 177.587 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -69.36 -38.97 78.32 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.711 -0.618 . . . . 0.0 111.121 -179.227 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.9 -27.4 50.36 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 116.521 1.369 . . . . 0.0 116.521 -177.427 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 m -135.72 -39.01 0.72 Allowed 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.189 1.495 . . . . 0.0 113.904 -178.401 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.88 -41.57 98.7 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 117.054 1.581 . . . . 0.0 117.054 -177.793 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 m -76.15 -46.04 3.67 Favored Pre-proline 0 N--CA 1.486 1.369 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.405 177.223 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -62.7 -31.6 78.87 Favored 'Trans proline' 0 CA--C 1.561 1.866 0 C-N-CA 123.382 2.721 . . . . 0.0 114.919 175.417 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.09 0 CA-C-N 120.827 1.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 100 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 100 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -49.62 -67.92 0.22 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 117.385 2.365 . . . . 0.0 117.385 -178.254 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -100.05 154.52 18.34 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 120.329 -1.482 . . . . 0.0 110.37 178.406 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.05 -58.03 3.03 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.73 0.812 . . . . 0.0 112.305 -179.561 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -41.16 -68.25 0.2 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.137 2.175 . . . . 0.0 116.114 -177.461 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.253 24.9 p -73.52 -19.24 60.96 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.157 1.344 . . . . 0.0 113.328 -179.539 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.76 -43.08 69.55 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.323 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.06 -51.95 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.314 1.445 . . . . 0.0 108.591 177.079 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 mt -56.22 -45.61 79.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.486 1.039 . . . . 0.0 112.793 177.704 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.3 -47.69 88.1 Favored Glycine 0 N--CA 1.472 1.054 0 CA-C-N 119.347 0.976 . . . . 0.0 112.382 177.443 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.66 -44.21 87.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.04 -0.682 . . . . 0.0 110.131 177.518 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.5 -44.28 84.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.27 1.428 . . . . 0.0 109.459 177.027 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.7 m -60.98 -39.67 90.5 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 117.439 -1.267 . . . . 0.0 109.352 179.805 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.06 -48.48 73.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.077 1.308 . . . . 0.0 109.718 176.899 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 41.8 mm-40 -65.31 -37.28 86.65 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.556 -1.34 . . . . 0.0 109.874 -179.364 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.04 -42.11 85.39 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 124.604 1.162 . . . . 0.0 108.366 177.534 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -63.52 -36.83 85.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.977 1.311 . . . . 0.0 109.438 177.444 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 88.7 mttt -65.19 -50.33 66.34 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.146 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -56.67 -46.17 81.27 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.817 1.247 . . . . 0.0 111.045 177.026 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.53 -44.14 97.08 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.083 -0.96 . . . . 0.0 109.484 177.276 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 m -66.09 -38.01 87.18 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.717 1.207 . . . . 0.0 110.425 178.408 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.517 1.053 . . . . 0.0 108.182 178.421 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 mt -58.26 -54.52 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.188 1.395 . . . . 0.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.75 -46.68 70.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.606 1.162 . . . . 0.0 111.571 178.53 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -64.35 -37.11 86.36 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.337 -1.477 . . . . 0.0 111.129 177.671 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -64.07 -45.75 87.39 Favored 'General case' 0 C--O 1.242 0.671 0 O-C-N 120.377 -1.452 . . . . 0.0 110.931 176.26 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -66.47 -44.47 82.65 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.122 -1.611 . . . . 0.0 114.422 176.916 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.74 -25.41 38.52 Favored Glycine 0 CA--C 1.542 1.726 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 -177.67 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -125.72 -47.6 1.68 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.345 1.073 . . . . 0.0 112.147 -179.274 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.59 -43.97 85.97 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 -176.827 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -83.69 -52.25 0.6 Allowed Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 118.284 1.042 . . . . 0.0 112.731 177.915 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.81 -31.58 92.71 Favored 'Trans proline' 0 CA--C 1.557 1.655 0 C-N-CA 122.448 2.099 . . . . 0.0 115.18 178.692 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.733 0 CA-C-N 119.926 1.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.69 -49.7 76.72 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.127 1.371 . . . . 0.0 112.132 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.8 p -65.56 -32.5 74.12 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.223 -0.923 . . . . 0.0 111.278 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -44.73 86.35 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.927 0.785 . . . . 0.0 109.047 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.02 -47.29 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.898 0.879 . . . . 0.0 109.151 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.12 -36.49 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.313 1.045 . . . . 0.0 112.275 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.51 57.68 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 125.561 1.553 . . . . 0.0 109.924 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.83 -48.09 82.54 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.882 -1.364 . . . . 0.0 109.325 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.42 -34.17 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.022 0.828 . . . . 0.0 111.343 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 m -61.63 -40.97 96.75 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.612 -1.305 . . . . 0.0 109.546 175.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -70.61 -39.87 73.5 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.71 -39.17 93.19 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 120.475 1.489 . . . . 0.0 108.555 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.43 -43.85 84.55 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.511 1.524 . . . . 0.0 106.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -59.71 -45.25 92.71 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.68 1.127 . . . . 0.0 111.38 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.328 2.7 pp -63.51 -35.51 80.7 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.09 1.314 . . . . 0.0 111.813 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.59 -43.96 88.09 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.924 -1.11 . . . . 0.0 108.984 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -59.29 -45.16 92.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.77 1.628 . . . . 0.0 109.539 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.21 -49.58 76.58 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.846 0.859 . . . . 0.0 111.04 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.88 -51.69 68.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.801 0.841 . . . . 0.0 111.245 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.31 94.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 112.82 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 m -65.27 -45.85 82.85 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.033 -1.042 . . . . 0.0 110.764 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.61 -39.1 93.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.816 0.846 . . . . 0.0 112.379 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -74.48 -44.24 52.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.673 0.789 . . . . 0.0 111.762 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.14 -28.28 60.59 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 115.786 1.075 . . . . 0.0 115.786 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -148.52 -36.58 0.19 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.096 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -176.491 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -60.08 -43.17 95.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.761 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -65.46 -30.03 70.76 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.543 1.519 . . . . 0.0 111.755 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -41.71 77.67 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.32 -42.62 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.79 -29.09 70.05 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.032 0.933 . . . . 0.0 109.256 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.17 26.28 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.31 -48.07 79.9 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.273 1.037 . . . . 0.0 109.357 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -58.59 -43.28 89.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.684 1.194 . . . . 0.0 110.524 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.2 m -61.15 -41.61 97.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 118.86 -0.59 . . . . 0.0 110.567 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.47 -40.41 81.02 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 118.625 -0.702 . . . . 0.0 110.515 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.13 -37.6 87.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 119.38 0.991 . . . . 0.0 109.323 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.67 -41.25 88.43 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.721 1.209 . . . . 0.0 109.277 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -62.34 -47.37 84.51 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.058 0.943 . . . . 0.0 110.14 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -54.21 -48.33 71.14 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.63 1.105 . . . . 0.0 110.898 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.29 4.3 pp -67.7 -34.63 77.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.654 -0.688 . . . . 0.0 111.637 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.43 -38.08 89.77 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.942 1.246 . . . . 0.0 108.996 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 m -64.14 -44.69 91.4 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.98 -41.96 84.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 117.513 -1.232 . . . . 0.0 111.238 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.96 -43.9 97.88 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 110.637 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.03 -48.5 81.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.671 0.788 . . . . 0.0 111.459 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -61.65 -44.98 95.96 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.518 -1.364 . . . . 0.0 110.723 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -63.29 -42.43 99.06 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.089 0.955 . . . . 0.0 112.775 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -74.49 -35.1 63.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.191 0.996 . . . . 0.0 112.83 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.11 -27.55 30.73 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -144.77 -34.0 0.37 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.565 0 CA-C-O 118.098 -1.39 . . . . 0.0 112.546 -176.806 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -60.06 -44.2 94.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.215 1.806 . . . . 0.0 112.828 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -66.04 -25.58 67.11 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.008 1.276 . . . . 0.0 110.66 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -34.31 74.68 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.932 1.242 . . . . 0.0 107.938 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.5 t -70.15 -40.5 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.386 -1.446 . . . . 0.0 107.498 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.65 -36.42 76.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.3 -40.76 91.96 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 127.111 2.291 . . . . 0.0 109.48 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.85 -51.93 65.09 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.426 1.613 . . . . 0.0 107.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.42 -38.98 72.3 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.994 0.815 . . . . 0.0 111.165 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -67.41 -35.11 78.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.616 1.167 . . . . 0.0 110.048 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -71.18 -40.96 70.94 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.93 -35.3 80.71 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.132 1.333 . . . . 0.0 107.84 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -65.56 -45.0 85.03 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -60.99 -40.7 94.48 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.588 1.155 . . . . 0.0 109.341 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -62.55 -50.17 72.38 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.811 -1.181 . . . . 0.0 109.141 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.341 2.3 pp -63.73 -31.93 73.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.313 0.96 . . . . 0.0 110.935 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.27 -41.15 85.99 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.8 m -68.43 -40.36 81.22 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.07 0.85 . . . . 0.0 109.527 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.22 -51.19 70.33 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.1 -52.34 65.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.575 1.15 . . . . 0.0 112.171 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.19 94.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.158 1.383 . . . . 0.0 113.294 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.8 m -62.79 -44.8 95.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.318 1.047 . . . . 0.0 109.655 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -63.21 -55.09 27.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.241 1.416 . . . . 0.0 111.386 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.7 p -66.0 -30.19 70.69 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.552 1.069 . . . . 0.0 111.72 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.69 -23.53 55.75 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 118.643 -1.087 . . . . 0.0 114.314 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -161.18 -43.34 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 0 C-N-CA 125.797 1.665 . . . . 0.0 117.114 -177.456 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 m -59.47 -44.6 92.99 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.884 0.874 . . . . 0.0 112.477 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.3 p -66.8 -26.62 67.03 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.61 1.095 . . . . 0.0 110.779 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -35.78 67.94 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.456 1.026 . . . . 0.0 108.433 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.56 -40.13 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.95 -30.71 71.77 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.34 -47.33 80.69 Favored Glycine 0 C--N 1.346 1.126 0 C-N-CA 125.403 1.478 . . . . 0.0 109.994 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.12 -48.03 83.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.911 0.885 . . . . 0.0 108.725 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.26 -39.3 82.41 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.712 0.805 . . . . 0.0 110.806 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -64.68 -39.02 92.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.537 0.735 . . . . 0.0 109.235 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.87 -40.66 83.58 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.189 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.85 -36.41 83.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.172 1.351 . . . . 0.0 109.437 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.05 -43.0 79.66 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -64.86 -34.37 78.22 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.498 -0.751 . . . . 0.0 110.474 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.3 -50.43 70.11 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.229 -1.544 . . . . 0.0 107.455 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 2.6 pp -64.25 -35.35 80.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.179 0.9 . . . . 0.0 111.321 177.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.24 -35.08 79.67 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.871 1.214 . . . . 0.0 108.993 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 m -66.27 -47.02 75.05 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -60.36 -39.98 89.12 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 111.393 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -64.48 -40.71 96.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.13 0.972 . . . . 0.0 110.021 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.34 94.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.009 0.924 . . . . 0.0 109.135 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.0 m -62.2 -48.64 79.1 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.512 -0.742 . . . . 0.0 109.804 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.45 -39.72 80.63 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.042 1.337 . . . . 0.0 112.794 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.6 p -78.56 -43.07 27.51 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -27.52 48.09 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -145.34 -27.21 0.46 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.366 0 CA-C-N 119.655 1.116 . . . . 0.0 114.177 -178.668 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -60.72 -47.34 86.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.615 1.166 . . . . 0.0 111.251 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.6 p -67.09 -27.91 67.74 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.562 1.528 . . . . 0.0 110.196 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -38.83 74.6 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.28 -40.53 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.51 -36.86 81.7 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.651 1.569 . . . . 0.0 108.655 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.4 92.14 Favored Glycine 0 CA--C 1.547 2.038 0 N-CA-C 108.069 -2.012 . . . . 0.0 108.069 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -63.08 -42.16 99.58 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.969 1.385 . . . . 0.0 108.858 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.29 -33.34 75.6 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.012 1.278 . . . . 0.0 109.228 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.5 m -69.74 -36.44 75.85 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.09 -38.58 79.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.177 1.391 . . . . 0.0 108.451 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.68 -35.97 81.4 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.993 1.27 . . . . 0.0 108.931 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 tp -67.3 -45.2 77.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.9 1.28 . . . . 0.0 108.351 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -65.29 -39.28 92.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.188 0.995 . . . . 0.0 110.886 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -59.23 -56.05 27.04 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.091 1.756 . . . . 0.0 108.366 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.308 3.6 pp -60.64 -37.13 80.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.92 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.95 -32.85 74.37 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.112 1.323 . . . . 0.0 108.685 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -70.33 -42.17 72.25 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.462 1.505 . . . . 0.0 108.172 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.18 -40.99 97.28 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.446 -0.783 . . . . 0.0 109.002 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.84 -43.03 99.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.647 1.179 . . . . 0.0 109.623 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.18 86.21 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.236 0.925 . . . . 0.0 110.68 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 m -67.37 -39.07 85.64 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.848 0.859 . . . . 0.0 109.276 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -43.49 81.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.048 1.739 . . . . 0.0 113.094 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.5 p -73.37 -35.14 65.9 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.71 1.141 . . . . 0.0 111.237 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.85 -33.91 35.88 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 120.8 -1.187 . . . . 0.0 115.523 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.4 p -145.06 -40.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 -178.195 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -56.06 -51.45 67.79 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.037 1.335 . . . . 0.0 112.113 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -65.86 -30.01 70.55 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.599 1.09 . . . . 0.0 110.879 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -39.12 75.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.165 0.893 . . . . 0.0 110.394 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.56 -53.74 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.038 1.335 . . . . 0.0 107.784 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.4 -35.25 69.79 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.352 0.978 . . . . 0.0 110.95 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.47 70.65 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.834 1.683 . . . . 0.0 109.455 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.82 -41.18 97.92 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.295 1.048 . . . . 0.0 110.165 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.42 -42.07 98.16 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.371 0.987 . . . . 0.0 108.349 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -65.01 -35.26 80.62 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.925 1.29 . . . . 0.0 111.017 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.81 -50.97 53.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.078 1.351 . . . . 0.0 108.481 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.44 -32.94 74.53 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.525 1.057 . . . . 0.0 110.169 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.17 -42.56 93.56 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.418 1.087 . . . . 0.0 108.151 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.09 -39.4 89.97 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.159 -0.963 . . . . 0.0 109.834 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.78 -52.52 62.88 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.689 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -61.23 -35.82 78.26 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.408 1.458 . . . . 0.0 111.172 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.17 -35.43 80.77 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.23 1.377 . . . . 0.0 109.076 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.04 -41.68 73.91 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.441 1.496 . . . . 0.0 110.209 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.2 -43.64 97.59 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.84 -41.02 99.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 108.096 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.651 1.18 . . . . 0.0 108.971 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -68.81 -45.11 72.09 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.635 0.774 . . . . 0.0 108.988 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.28 -38.36 83.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.814 1.246 . . . . 0.0 112.415 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 p -82.46 -29.45 30.61 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.105 0.962 . . . . 0.0 113.447 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 -40.62 10.05 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 119.626 1.103 . . . . 0.0 114.75 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -132.44 -37.3 1.08 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.856 0 N-CA-C 116.704 1.441 . . . . 0.0 116.704 -177.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -49.33 73.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.793 1.237 . . . . 0.0 111.396 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -65.6 -29.24 69.81 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.679 1.127 . . . . 0.0 110.892 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -45.33 78.2 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.14 -38.47 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.6 tp -62.68 -35.66 80.4 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.964 0.802 . . . . 0.0 109.15 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.49 67.34 Favored Glycine 0 N--CA 1.466 0.653 0 C-N-CA 125.059 1.314 . . . . 0.0 109.964 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.64 -46.83 87.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.945 1.698 . . . . 0.0 108.618 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -41.92 98.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 109.705 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -62.0 -34.07 75.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.941 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -69.66 -40.74 76.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.213 0.915 . . . . 0.0 109.472 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.84 -37.07 86.38 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.617 1.099 . . . . 0.0 108.215 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.83 -42.98 94.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.689 1.196 . . . . 0.0 109.477 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -61.08 -41.06 95.93 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.704 1.602 . . . . 0.0 110.0 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.4 -55.12 34.96 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.221 1.008 . . . . 0.0 109.174 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.31 3.3 pp -63.95 -30.99 72.03 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -64.94 -38.72 91.91 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.809 1.186 . . . . 0.0 108.913 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -63.08 -45.19 93.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.533 1.133 . . . . 0.0 109.779 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -62.69 -42.62 99.73 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.624 -0.672 . . . . 0.0 110.436 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.86 -46.49 89.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.633 1.173 . . . . 0.0 110.485 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.52 93.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.083 0.953 . . . . 0.0 111.466 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -64.25 -42.18 96.62 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.535 -0.728 . . . . 0.0 109.767 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.13 -43.44 98.38 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.389 -0.82 . . . . 0.0 112.821 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -78.01 -16.56 57.99 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.557 1.072 . . . . 0.0 113.814 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.85 -46.78 4.71 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.334 1.445 . . . . 0.0 113.925 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.3 p -131.54 -30.23 1.69 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 C-N-CA 124.226 0.917 . . . . 0.0 114.792 -177.762 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -58.28 -44.24 88.38 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.584 1.153 . . . . 0.0 113.014 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.3 p -65.39 -35.17 80.13 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.26 0.936 . . . . 0.0 110.061 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -35.49 76.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.751 -1.218 . . . . 0.0 109.936 177.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.24 -46.65 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.2 -37.34 79.97 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 0.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -45.13 88.82 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.35 -42.26 98.91 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.228 1.514 . . . . 0.0 110.554 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.08 -45.03 94.27 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.183 0.993 . . . . 0.0 108.495 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 m -63.07 -37.59 87.81 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.46 1.104 . . . . 0.0 111.406 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.64 -45.01 65.96 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 117.604 -1.189 . . . . 0.0 110.951 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -61.08 -37.52 82.97 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 121.437 1.926 . . . . 0.0 108.795 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.84 -49.72 71.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.58 -39.56 84.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.085 -1.635 . . . . 0.0 111.076 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.79 -54.05 47.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.764 0.826 . . . . 0.0 110.002 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.1 pp -64.5 -33.7 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.59 1.086 . . . . 0.0 113.02 177.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.68 -38.39 87.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.726 0.81 . . . . 0.0 110.57 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -52.91 -51.76 60.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.745 1.218 . . . . 0.0 111.441 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.89 -37.87 85.2 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.53 -35.38 80.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.758 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.2 98.16 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 123.735 0.814 . . . . 0.0 108.871 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -66.01 -43.69 86.95 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.137 -0.977 . . . . 0.0 108.552 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -56.12 -68.94 0.16 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.398 -1.439 . . . . 0.0 112.25 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -75.37 -3.62 34.65 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 117.917 -1.04 . . . . 0.0 113.567 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.16 -23.51 14.61 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.565 1.079 . . . . 0.0 113.224 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -160.2 -41.09 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.236 0 C-N-CA 127.091 2.282 . . . . 0.0 116.306 -177.831 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -59.57 -47.22 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.763 1.225 . . . . 0.0 112.895 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -63.56 -32.21 73.61 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.668 1.122 . . . . 0.0 111.601 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -46.29 81.07 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.3 -46.97 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.735 -0.603 . . . . 0.0 111.41 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.79 -39.88 82.39 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.578 1.151 . . . . 0.0 108.884 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.18 -48.84 29.66 Favored Glycine 0 CA--C 1.555 2.557 0 N-CA-C 108.23 -1.948 . . . . 0.0 108.23 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.11 -44.21 97.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.62 1.21 . . . . 0.0 110.709 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.84 -39.34 93.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.654 1.116 . . . . 0.0 108.986 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -62.31 -36.75 83.14 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 119.865 1.212 . . . . 0.0 108.975 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.88 -44.52 80.67 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.31 -39.79 94.18 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 120.688 -1.257 . . . . 0.0 108.397 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.51 -41.53 98.52 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -62.61 -35.52 79.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.673 1.189 . . . . 0.0 109.212 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.69 -54.05 50.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.104 -0.998 . . . . 0.0 109.66 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.257 4.4 pp -68.03 -32.42 72.77 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.198 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -61.47 -38.4 87.12 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.15 1.341 . . . . 0.0 110.21 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -61.75 -48.07 82.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.246 0.619 . . . . 0.0 109.431 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.93 -37.59 87.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.79 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.3 -41.32 96.91 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.5 96.02 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 119.599 1.09 . . . . 0.0 110.338 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.7 m -66.15 -45.13 82.05 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -55.3 -58.05 9.31 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.313 2.245 . . . . 0.0 113.525 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 p -78.03 -27.1 48.72 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.16 -25.03 41.74 Favored Glycine 0 CA--C 1.548 2.095 0 CA-C-O 118.796 -1.002 . . . . 0.0 115.101 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -145.84 -36.99 0.26 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.443 0 CA-C-O 117.571 -1.683 . . . . 0.0 115.421 -178.036 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.3 tp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -58.29 -47.66 82.93 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.101 1.36 . . . . 0.0 112.331 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 p -65.01 -35.06 79.98 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 119.343 0.974 . . . . 0.0 110.024 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -38.37 79.24 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.12 -50.09 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.98 -37.83 69.59 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.474 1.11 . . . . 0.0 111.259 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -49.03 64.46 Favored Glycine 0 CA--C 1.543 1.827 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.61 -40.48 97.08 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.595 -0.944 . . . . 0.0 110.421 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.38 -40.17 93.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.304 -0.873 . . . . 0.0 108.932 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 m -61.81 -37.5 84.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.624 0.769 . . . . 0.0 110.429 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -70.13 -46.45 64.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.309 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.31 -36.58 80.49 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.634 1.106 . . . . 0.0 110.989 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -44.98 90.19 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.876 1.271 . . . . 0.0 108.715 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -58.74 -36.32 74.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.232 1.013 . . . . 0.0 111.795 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -58.9 -53.18 61.25 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.139 -1.601 . . . . 0.0 109.376 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.333 3.2 pp -67.09 -30.08 70.01 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -65.48 -39.1 91.54 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 119.621 -1.924 . . . . 0.0 107.765 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -65.35 -48.11 74.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.143 1.377 . . . . 0.0 109.173 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -61.15 -36.29 79.37 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.124 -0.985 . . . . 0.0 111.225 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.56 -38.56 91.43 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 119.348 0.976 . . . . 0.0 110.66 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.68 94.78 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -62.01 -48.85 78.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.193 -0.942 . . . . 0.0 109.547 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -56.7 -43.7 80.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.348 1.459 . . . . 0.0 113.708 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -78.36 -34.31 48.44 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.798 1.239 . . . . 0.0 113.574 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.58 -24.41 28.38 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -146.4 -33.51 0.31 Allowed 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.664 1.732 . . . . 0.0 115.472 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.486 0 CA-C-O 118.602 -1.11 . . . . 0.0 115.183 -177.118 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -58.14 -48.82 79.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.366 1.066 . . . . 0.0 112.265 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -65.56 -31.92 73.23 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.681 -1.262 . . . . 0.0 111.656 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -42.31 81.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.262 0.937 . . . . 0.0 108.667 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.61 -43.22 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 116.955 -1.498 . . . . 0.0 108.455 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.15 -36.94 76.15 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.581 1.537 . . . . 0.0 110.757 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -47.39 84.46 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -63.36 -42.26 98.88 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.67 0.788 . . . . 0.0 110.002 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.46 -37.83 88.8 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.182 0.901 . . . . 0.0 108.801 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -66.06 -36.19 82.55 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.422 1.089 . . . . 0.0 110.079 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.38 -50.88 62.02 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.154 0.982 . . . . 0.0 108.429 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.71 -37.39 81.52 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.047 -1.033 . . . . 0.0 110.553 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.88 -44.94 88.03 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -59.49 -37.52 78.46 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.326 1.05 . . . . 0.0 110.413 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -63.21 -54.37 38.53 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.944 -1.097 . . . . 0.0 108.115 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.348 4.1 pp -64.14 -30.45 71.51 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.748 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.16 -40.78 96.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.815 1.189 . . . . 0.0 107.994 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -63.23 -43.68 97.39 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.15 1.38 . . . . 0.0 109.524 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -65.9 -38.77 89.6 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.541 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.9 -38.04 85.51 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 120.217 1.371 . . . . 0.0 109.321 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.71 89.06 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -63.42 -45.12 92.45 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.096 0.958 . . . . 0.0 109.234 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.53 -43.03 99.61 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.296 1.438 . . . . 0.0 112.749 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -77.93 -36.45 49.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.863 0.865 . . . . 0.0 112.709 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.34 52.04 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 117.157 1.623 . . . . 0.0 117.157 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.0 p -145.84 -42.08 0.21 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.323 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.595 -176.875 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 CA--C 1.541 0.615 0 CA-C-O 120.5 0.191 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -57.15 -48.42 78.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.362 1.465 . . . . 0.0 113.015 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.099 1.318 . . . . 0.0 111.955 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.07 80.49 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.236 -0.915 . . . . 0.0 109.356 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.48 -51.8 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.902 1.281 . . . . 0.0 109.881 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.53 -36.16 71.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.239 1.015 . . . . 0.0 110.614 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.28 67.12 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -61.34 -47.95 83.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 117.642 0.721 . . . . 0.0 110.265 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.98 -40.67 81.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.846 0.858 . . . . 0.0 110.721 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.2 m -62.35 -40.69 97.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.348 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.78 -41.44 87.68 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.382 0.992 . . . . 0.0 110.072 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.09 -39.05 91.14 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.302 -0.874 . . . . 0.0 109.351 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.27 -39.54 86.06 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -60.2 -32.25 70.91 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.789 1.235 . . . . 0.0 110.271 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.81 -57.26 11.52 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.299 1.0 OUTLIER -65.64 -30.64 71.38 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.803 0.729 . . . . 0.0 110.657 179.804 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -65.09 -38.81 91.93 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.9 m -65.93 -44.39 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.074 1.35 . . . . 0.0 108.348 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -61.17 -41.34 96.6 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 119.093 0.861 . . . . 0.0 109.012 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.56 -34.65 78.74 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.518 1.127 . . . . 0.0 109.754 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.08 90.15 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.659 1.183 . . . . 0.0 108.27 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -62.33 -48.23 80.74 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.55 -36.9 81.92 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -86.38 -28.39 23.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.752 -1.217 . . . . 0.0 113.941 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -12.56 52.13 Favored Glycine 0 CA--C 1.544 1.863 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -149.56 -42.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.895 0 C-N-CA 124.203 0.906 . . . . 0.0 115.062 -177.77 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -57.17 -51.92 67.38 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.288 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -62.3 -30.27 71.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.101 1.318 . . . . 0.0 112.441 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -46.77 72.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.491 0.587 . . . . 0.0 110.575 176.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.86 -50.22 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.676 1.19 . . . . 0.0 109.803 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.3 mt -56.96 -52.58 64.65 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.705 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.96 -50.6 50.3 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.742 1.163 . . . . 0.0 113.319 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.05 -47.47 85.74 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.851 0.825 . . . . 0.0 110.958 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.16 -38.86 92.85 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.701 0.682 . . . . 0.0 110.127 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -64.54 -34.38 78.1 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.361 -1.304 . . . . 0.0 108.029 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -70.01 -41.21 74.61 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.494 -1.241 . . . . 0.0 108.823 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.68 -39.04 90.87 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.48 -40.46 95.73 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.919 0.887 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -64.74 -43.14 94.31 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.167 1.387 . . . . 0.0 110.315 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.59 -49.45 77.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.396 1.078 . . . . 0.0 108.736 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.335 4.4 pp -64.26 -30.98 72.01 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.173 0.897 . . . . 0.0 111.104 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.85 -37.87 85.29 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -62.37 -42.65 99.58 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -65.16 -43.69 90.96 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.066 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.17 -45.53 92.79 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.858 1.208 . . . . 0.0 109.877 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.03 96.67 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.709 1.204 . . . . 0.0 109.283 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -61.91 -43.14 99.46 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.89 -48.75 79.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.263 1.825 . . . . 0.0 113.25 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -74.38 -35.94 63.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.66 -21.61 55.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.954 1.141 . . . . 0.0 115.954 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.1 p -150.31 -41.52 0.13 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.238 0 C-N-CA 125.44 1.495 . . . . 0.0 114.865 -177.464 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -60.28 -47.76 84.63 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.324 1.05 . . . . 0.0 111.56 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -64.14 -32.4 73.95 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.243 1.383 . . . . 0.0 110.259 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -42.04 83.99 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.93 -45.39 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.275 1.03 . . . . 0.0 108.659 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.07 -43.63 91.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.954 1.252 . . . . 0.0 109.388 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -44.14 98.14 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.0 -40.28 94.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.85 0.86 . . . . 0.0 110.388 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.63 -47.79 84.65 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -62.7 -33.34 74.88 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.007 0.923 . . . . 0.0 111.031 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -69.15 -52.5 27.48 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.808 1.185 . . . . 0.0 108.351 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.32 -34.88 77.47 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.428 1.013 . . . . 0.0 110.711 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.66 -46.34 90.16 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 125.412 1.485 . . . . 0.0 108.58 176.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -63.46 -42.5 98.63 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.131 0.878 . . . . 0.0 110.349 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.78 -50.09 73.36 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.103 -0.998 . . . . 0.0 110.159 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 4.4 pp -70.06 -28.49 65.48 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.181 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -62.89 -42.25 99.71 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.422 1.489 . . . . 0.0 107.448 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -63.49 -43.64 96.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -62.03 -44.37 96.86 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.512 1.051 . . . . 0.0 111.921 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.48 -47.73 83.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.869 1.268 . . . . 0.0 109.921 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.62 91.04 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.105 0.962 . . . . 0.0 111.172 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -62.59 -48.58 78.82 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.185 0.994 . . . . 0.0 110.358 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -54.67 -37.97 66.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.134 0.974 . . . . 0.0 113.574 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -87.05 -39.73 15.35 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.71 -32.44 41.21 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -140.22 -19.87 0.87 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 C-N-CA 125.239 1.399 . . . . 0.0 113.341 -179.655 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -58.61 -49.28 78.07 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.752 0.821 . . . . 0.0 112.17 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -63.72 -34.83 78.75 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.204 0.911 . . . . 0.0 110.238 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -40.61 87.66 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.75 -49.02 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.24 -41.63 84.57 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 119.362 0.983 . . . . 0.0 110.0 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -51.13 55.24 Favored Glycine 0 CA--C 1.545 1.915 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.4 -50.92 71.96 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.759 0.824 . . . . 0.0 109.938 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.49 -46.64 66.68 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.534 1.061 . . . . 0.0 110.289 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 m -60.94 -48.33 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.856 0.862 . . . . 0.0 111.963 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.52 -49.9 74.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.12 -35.56 80.67 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.577 1.081 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.37 -36.07 80.62 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.062 -1.024 . . . . 0.0 108.309 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.83 -41.82 82.42 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.112 -0.993 . . . . 0.0 109.501 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.42 -47.55 85.03 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.74 -1.225 . . . . 0.0 108.253 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.314 4.0 pp -65.26 -29.34 70.12 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 117.619 -1.181 . . . . 0.0 110.717 177.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -65.07 -44.13 89.95 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 120.655 1.57 . . . . 0.0 107.662 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -62.34 -37.85 87.22 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -47.09 86.07 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 125.438 1.495 . . . . 0.0 109.048 176.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.14 -45.6 92.48 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 125.073 1.349 . . . . 0.0 110.887 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.29 89.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.78 -1.2 . . . . 0.0 112.309 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -65.86 -40.54 91.76 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.047 -1.033 . . . . 0.0 110.311 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -61.85 -55.54 28.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.433 1.893 . . . . 0.0 111.139 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.0 p -65.71 -37.8 87.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 117.5 -1.238 . . . . 0.0 113.451 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.24 -27.58 30.28 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -143.2 -36.53 0.37 Allowed 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.417 0 CA-C-N 120.269 1.395 . . . . 0.0 113.09 179.457 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.0 tp . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -59.88 -49.99 75.53 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 p -60.58 -38.5 84.82 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 119.58 1.082 . . . . 0.0 111.913 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -41.02 99.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.559 0.618 . . . . 0.0 110.94 177.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.17 -48.38 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.043 0.937 . . . . 0.0 111.377 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.48 -42.15 86.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.315 1.046 . . . . 0.0 112.642 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.84 -51.81 56.7 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.18 -52.39 65.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.934 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -52.62 -43.24 65.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.115 0.566 . . . . 0.0 112.179 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.79 -47.33 81.32 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 118.654 -0.689 . . . . 0.0 112.29 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.48 -39.41 77.7 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 117.666 -1.159 . . . . 0.0 111.776 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.54 -40.17 95.95 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.894 1.679 . . . . 0.0 108.362 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tp -68.5 -30.56 69.42 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -74.64 -38.47 62.48 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.41 -51.29 70.45 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.068 -1.645 . . . . 0.0 107.764 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.273 3.3 pp -62.01 -29.42 70.26 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.929 0.768 . . . . 0.0 112.458 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.19 -37.95 81.47 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -67.41 -45.29 76.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.732 1.213 . . . . 0.0 108.603 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -60.06 -42.6 94.86 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.12 -55.31 30.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.542 1.537 . . . . 0.0 108.447 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.33 -42.72 78.14 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.315 1.446 . . . . 0.0 111.889 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -64.31 -39.45 93.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.444 -0.785 . . . . 0.0 110.503 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -69.0 -56.06 8.93 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.733 -1.229 . . . . 0.0 112.807 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -63.3 -28.89 70.32 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.3 -12.11 49.74 Favored Glycine 0 N--CA 1.479 1.5 0 C-N-CA 125.424 1.487 . . . . 0.0 114.72 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -153.76 -52.33 0.1 Allowed 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 120.35 2.075 . . . . 0.0 115.164 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.297 0 C-N-CA 125.761 1.648 . . . . 0.0 116.623 -177.334 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 111.239 0.088 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -56.73 -44.04 81.24 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.572 1.149 . . . . 0.0 113.395 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -67.64 -31.71 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.19 1.359 . . . . 0.0 110.649 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -42.68 74.43 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.015 0.825 . . . . 0.0 109.237 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -52.33 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.037 1.335 . . . . 0.0 109.661 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.78 -44.98 86.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.218 1.007 . . . . 0.0 110.66 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.65 -49.18 81.36 Favored Glycine 0 C--N 1.343 0.955 0 C-N-CA 124.141 0.876 . . . . 0.0 111.46 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -62.02 -51.71 66.92 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 117.689 -1.148 . . . . 0.0 109.641 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.22 -37.01 74.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 120.307 1.412 . . . . 0.0 112.192 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.52 -34.63 77.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.128 1.331 . . . . 0.0 108.461 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -69.12 -43.41 74.5 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.25 -32.07 73.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.388 1.449 . . . . 0.0 108.322 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.88 -39.58 94.51 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.273 1.429 . . . . 0.0 108.756 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -70.66 -36.57 73.44 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 124.993 1.317 . . . . 0.0 109.147 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.1 -47.56 76.78 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 116.938 -1.506 . . . . 0.0 109.319 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.312 3.8 pp -63.92 -30.36 71.45 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.195 0.907 . . . . 0.0 110.28 176.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -63.88 -42.18 97.56 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.357 -1.719 . . . . 0.0 106.357 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -70.99 -38.03 72.7 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.764 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -62.31 -40.17 95.44 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.578 1.535 . . . . 0.0 112.224 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.18 -48.8 80.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.509 1.124 . . . . 0.0 110.271 176.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.95 86.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.012 0.925 . . . . 0.0 112.253 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.2 m -67.81 -38.42 83.27 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.018 -1.676 . . . . 0.0 111.541 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -64.76 -51.64 61.21 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 119.664 -1.897 . . . . 0.0 109.929 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 p -62.97 -30.57 71.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -14.51 36.54 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 119.639 1.109 . . . . 0.0 115.202 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 m -145.92 -50.17 0.23 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.26 2.03 . . . . 0.0 113.511 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.139 0 C-N-CA 125.545 1.545 . . . . 0.0 115.012 -177.251 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 99.4 mt . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 119.196 -0.43 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -58.79 -44.72 90.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.717 0.807 . . . . 0.0 111.855 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -66.42 -30.83 71.28 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.18 1.354 . . . . 0.0 110.561 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -41.0 85.25 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.46 -46.4 96.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.552 1.141 . . . . 0.0 108.968 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.4 -40.99 83.88 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.82 -1.175 . . . . 0.0 110.699 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.1 -51.4 58.66 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.7 -45.47 94.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.719 0.807 . . . . 0.0 111.109 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.53 -43.81 93.36 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.124 1.329 . . . . 0.0 111.065 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.9 -41.16 97.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.078 0.853 . . . . 0.0 110.341 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.55 -48.29 75.6 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.565 1.146 . . . . 0.0 110.116 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.44 -35.47 81.01 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.432 1.469 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.96 -41.77 90.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.658 0.783 . . . . 0.0 109.355 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -68.94 -33.98 74.62 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.314 -0.866 . . . . 0.0 110.03 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -65.02 -53.14 50.69 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.641 -1.287 . . . . 0.0 109.923 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.27 4.2 pp -59.65 -37.38 78.55 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.271 1.396 . . . . 0.0 110.778 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -63.51 -42.59 98.48 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -67.8 -45.79 73.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.682 1.593 . . . . 0.0 110.007 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -55.38 -43.9 75.6 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.291 1.036 . . . . 0.0 110.226 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.15 -43.9 98.16 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.375 0.67 . . . . 0.0 109.484 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -49.37 71.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.051 0.941 . . . . 0.0 111.99 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 m -57.85 -41.01 81.5 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.282 0.946 . . . . 0.0 111.003 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.09 -64.77 0.79 Allowed 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.092 -1.005 . . . . 0.0 111.701 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.5 p -58.54 -33.8 70.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.97 -10.83 68.63 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 116.104 1.202 . . . . 0.0 116.104 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -158.96 -48.06 0.06 Allowed 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.838 1.819 . . . . 0.0 114.817 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -177.881 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -55.86 -46.7 78.18 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.14 0.976 . . . . 0.0 112.4 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -68.8 -31.4 70.38 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.992 1.269 . . . . 0.0 110.398 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -41.69 75.15 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.246 1.385 . . . . 0.0 109.445 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.04 -44.81 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.0 -41.34 87.42 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.235 0.925 . . . . 0.0 110.827 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.74 -38.99 94.7 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -71.74 -44.21 64.49 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 125.055 1.342 . . . . 0.0 108.166 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.25 -42.22 81.09 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 119.951 -1.718 . . . . 0.0 109.078 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.803 1.183 . . . . 0.0 111.175 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.16 -49.3 72.64 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.49 -41.03 93.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.476 -0.765 . . . . 0.0 110.718 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.11 -28.97 69.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.454 1.501 . . . . 0.0 111.537 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -86.48 -40.16 15.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.671 0.788 . . . . 0.0 110.293 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -55.81 -51.63 66.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.095 1.758 . . . . 0.0 110.566 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.254 3.3 pp -60.03 -29.77 68.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.14 -0.975 . . . . 0.0 113.109 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.27 -35.86 71.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -66.5 -42.37 87.47 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.02 -34.88 77.03 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.753 0.706 . . . . 0.0 111.102 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.33 -38.6 91.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.495 1.118 . . . . 0.0 109.245 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.2 96.45 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.788 0.722 . . . . 0.0 109.589 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -67.01 -44.06 81.29 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.123 -0.985 . . . . 0.0 110.326 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.46 -42.69 88.01 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.347 1.859 . . . . 0.0 112.757 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 p -84.12 -31.07 25.44 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.542 1.537 . . . . 0.0 113.903 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.51 -8.78 57.18 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -157.0 -28.03 0.09 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 120.698 2.249 . . . . 0.0 115.244 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.527 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 179.839 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 118.722 -0.656 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 -49.48 77.63 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.402 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.9 p -63.01 -37.44 87.2 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.405 1.002 . . . . 0.0 111.512 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -41.29 96.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.121 0.873 . . . . 0.0 109.955 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.2 t -64.1 -47.89 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.51 1.524 . . . . 0.0 108.89 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.33 -36.85 76.43 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.136 0.88 . . . . 0.0 110.055 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.72 79.17 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.106 1.336 . . . . 0.0 110.123 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -64.14 -41.42 97.2 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.261 -1.141 . . . . 0.0 110.711 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.61 -42.99 99.65 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 119.558 1.072 . . . . 0.0 108.517 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 m -62.93 -37.69 88.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.125 0.97 . . . . 0.0 110.469 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.51 -51.19 61.79 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 117.873 -1.06 . . . . 0.0 109.283 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.25 -38.22 82.81 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.469 1.486 . . . . 0.0 110.687 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 mt -65.2 -40.98 94.91 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.265 1.026 . . . . 0.0 110.139 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.94 -32.7 65.45 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.822 -1.174 . . . . 0.0 109.9 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.9 -48.26 79.73 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 117.016 -1.468 . . . . 0.0 108.093 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.306 4.6 pp -61.62 -35.12 76.98 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.337 1.426 . . . . 0.0 111.202 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.57 -38.04 89.64 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.217 1.371 . . . . 0.0 107.875 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 m -66.54 -43.31 85.51 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.753 1.221 . . . . 0.0 110.508 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -57.96 -46.06 85.69 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.574 1.079 . . . . 0.0 110.671 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.39 -40.15 93.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 110.376 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.9 73.15 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 119.532 1.06 . . . . 0.0 108.867 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.2 m -58.56 -40.31 82.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.672 -1.267 . . . . 0.0 109.56 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -67.64 -58.01 5.42 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 119.291 -2.131 . . . . 0.0 109.753 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.1 p -66.36 -13.27 60.35 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.89 -19.53 9.04 Favored Glycine 0 N--CA 1.481 1.675 0 C-N-CA 125.752 1.644 . . . . 0.0 114.63 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -146.91 -47.39 0.18 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.77 1.285 . . . . 0.0 113.723 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.993 0 C-N-CA 125.953 1.74 . . . . 0.0 115.561 -177.46 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 m -60.25 -46.54 89.43 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.993 179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.8 p -61.4 -32.79 72.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.067 1.758 . . . . 0.0 111.171 177.293 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -41.22 70.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.314 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.81 -44.75 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 124.755 1.222 . . . . 0.0 108.565 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.55 -44.98 96.06 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.4 94.05 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.097 0.856 . . . . 0.0 111.088 177.404 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.19 -45.27 94.1 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.472 1.109 . . . . 0.0 111.466 176.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.08 -41.45 98.19 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.43 -0.793 . . . . 0.0 109.142 177.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -36.85 84.45 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.552 176.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -66.79 -47.0 73.48 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.069 1.348 . . . . 0.0 108.483 177.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.45 -37.97 87.94 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.661 1.119 . . . . 0.0 109.358 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.62 -42.58 95.4 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.07 -38.06 89.7 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.17 0.988 . . . . 0.0 111.374 177.201 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -61.4 -53.65 53.85 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.653 1.181 . . . . 0.0 109.12 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 4.0 pp -64.59 -33.54 76.17 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.073 177.845 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -64.81 -34.29 78.0 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.728 1.603 . . . . 0.0 109.307 176.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -68.58 -50.43 51.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.622 1.569 . . . . 0.0 107.687 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -57.34 -41.45 80.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.538 0.735 . . . . 0.0 110.757 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.42 -39.96 92.68 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 110.898 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.9 71.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 109.01 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 m -58.44 -40.37 82.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.77 0.828 . . . . 0.0 110.893 177.362 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.27 -64.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.133 1.773 . . . . 0.0 110.113 178.051 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -61.88 -23.91 66.6 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.375 1.47 . . . . 0.0 114.578 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.67 -20.39 22.08 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 119.463 1.029 . . . . 0.0 114.583 178.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 m -146.48 -49.06 0.2 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.5 1.65 . . . . 0.0 114.802 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.472 0 C-N-CA 126.034 1.778 . . . . 0.0 116.5 -175.62 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.6 mt . . . . . 0 CA--C 1.54 0.596 0 CA-C-O 118.142 -0.932 . . . . 0.0 113.311 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -63.24 -48.81 76.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.307 1.412 . . . . 0.0 110.187 176.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -64.42 -27.28 68.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.523 1.056 . . . . 0.0 110.404 177.241 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.73 68.2 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.661 1.119 . . . . 0.0 110.367 177.196 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.1 -45.01 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.95 -34.0 76.99 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.857 -0.592 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.48 92.07 Favored Glycine 0 N--CA 1.474 1.217 0 C-N-CA 125.006 1.289 . . . . 0.0 111.462 175.103 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.99 -42.72 90.68 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.755 1.222 . . . . 0.0 108.224 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 mt -66.04 -47.9 72.83 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -57.31 -33.39 67.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.416 1.086 . . . . 0.0 112.232 177.737 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.58 -52.04 62.73 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.169 0.988 . . . . 0.0 109.6 176.607 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.76 -38.04 89.0 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 118.765 0.711 . . . . 0.0 111.413 177.275 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -65.48 -47.24 76.75 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 0.0 110.732 177.419 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -63.32 -36.09 82.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.029 0.831 . . . . 0.0 110.954 177.233 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -61.64 -55.64 28.4 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 118.045 -0.979 . . . . 0.0 108.409 177.075 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.302 3.9 pp -60.77 -35.0 75.32 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.429 1.013 . . . . 0.0 112.581 177.584 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.52 -42.77 98.45 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.861 1.21 . . . . 0.0 108.916 177.599 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -65.95 -42.27 90.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.413 1.485 . . . . 0.0 110.712 177.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.13 97.79 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.916 0.886 . . . . 0.0 110.184 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.0 -42.54 98.65 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.624 0.77 . . . . 0.0 110.438 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.79 90.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.793 0.837 . . . . 0.0 110.339 177.186 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.1 m -62.5 -40.34 96.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.229 1.012 . . . . 0.0 111.069 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.26 -48.41 70.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 0.0 112.863 177.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 p -66.7 -19.33 65.74 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.77 -28.4 7.02 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 118.703 -1.054 . . . . 0.0 114.466 178.331 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -142.16 -48.48 0.36 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.733 0 C-N-CA 124.99 1.281 . . . . 0.0 116.231 -176.735 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -63.85 -42.73 97.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.764 176.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.4 p -65.54 -29.49 70.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.402 1.91 . . . . 0.0 111.681 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -40.94 89.18 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.616 1.098 . . . . 0.0 109.376 174.424 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.22 -46.6 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.633 1.173 . . . . 0.0 108.071 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -35.73 75.94 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 121.368 -0.833 . . . . 0.0 109.993 177.059 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.4 -48.43 82.32 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 124.892 1.234 . . . . 0.0 110.636 177.289 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.41 -48.24 81.31 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 123.908 0.883 . . . . 0.0 109.044 176.582 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.87 98.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.357 0.981 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -65.02 -32.7 74.56 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.786 1.234 . . . . 0.0 111.146 178.701 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -65.73 -51.05 62.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.43 1.092 . . . . 0.0 108.457 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.27 -32.38 73.08 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.23 177.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.84 -46.56 71.45 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.042 1.337 . . . . 0.0 108.3 176.36 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -62.51 -37.71 87.11 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.068 0.849 . . . . 0.0 109.159 177.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.46 -52.32 64.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 117.522 -1.228 . . . . 0.0 107.726 178.229 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.346 3.9 pp -62.1 -34.55 76.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.114 1.325 . . . . 0.0 111.889 177.545 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.84 -40.64 98.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -67.56 -53.3 29.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.524 1.53 . . . . 0.0 110.17 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -58.46 -28.61 65.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.299 1.04 . . . . 0.0 113.197 177.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.61 -36.52 83.02 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.574 1.534 . . . . 0.0 109.092 177.007 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.55 69.5 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -63.14 -36.67 84.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -0.938 . . . . 0.0 111.392 176.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -69.12 -53.61 19.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.215 1.806 . . . . 0.0 110.547 178.269 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.8 p -63.83 -28.65 70.0 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.408 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.13 -29.4 11.5 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-O 118.544 -1.142 . . . . 0.0 114.459 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 m -135.72 -51.81 0.74 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.654 1.727 . . . . 0.0 113.902 -177.227 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.866 0 C-N-CA 127.971 2.7 . . . . 0.0 115.222 -174.846 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 120.775 0.321 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -59.05 -47.61 84.61 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.684 1.193 . . . . 0.0 112.147 178.061 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 p -65.37 -28.74 69.49 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.419 1.463 . . . . 0.0 111.011 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.25 73.68 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.812 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.72 -46.22 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.103 0.961 . . . . 0.0 109.601 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.98 -31.87 71.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.462 0.705 . . . . 0.0 110.791 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.21 81.72 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 176.742 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.15 -45.52 88.12 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.071 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.41 -47.61 81.26 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.083 0.953 . . . . 0.0 110.438 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -59.43 -40.39 86.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.616 1.166 . . . . 0.0 111.832 177.61 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.92 -51.1 66.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.999 0.92 . . . . 0.0 109.941 177.206 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.61 -34.15 75.15 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.776 -0.577 . . . . 0.0 112.221 177.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.62 -44.9 89.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.371 0.668 . . . . 0.0 109.246 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -37.19 86.42 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 122.681 0.392 . . . . 0.0 110.555 177.635 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.41 -55.05 27.48 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.975 176.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.271 3.5 pp -61.56 -33.31 73.64 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.457 1.026 . . . . 0.0 112.74 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.19 -43.74 97.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.572 1.078 . . . . 0.0 109.041 176.205 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -65.97 -51.85 54.82 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.088 1.355 . . . . 0.0 109.578 178.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -61.6 -29.8 70.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.637 0.775 . . . . 0.0 112.205 178.698 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.9 -41.89 99.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.647 1.112 . . . . 0.0 108.897 176.613 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.96 91.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.447 0.699 . . . . 0.0 109.295 177.447 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -59.08 -46.07 89.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.718 . . . . 0.0 111.02 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.98 -53.36 26.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.807 0.843 . . . . 0.0 111.946 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.1 p -67.24 -17.37 64.78 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.54 -30.5 4.62 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 115.769 1.068 . . . . 0.0 115.769 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -131.62 -46.47 0.97 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -177.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.648 0 C-N-CA 124.931 1.253 . . . . 0.0 114.823 -177.195 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.2 tp . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 119.144 -0.455 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -58.8 -46.82 86.7 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.766 177.332 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.6 1.545 . . . . 0.0 110.552 177.316 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -46.32 76.68 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.278 0.945 . . . . 0.0 108.541 177.122 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.5 -38.46 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 177.1 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.4 -35.58 77.92 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.9 1.28 . . . . 0.0 108.925 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.59 -46.88 72.77 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 177.767 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.68 -37.98 89.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.054 1.427 . . . . 0.0 110.141 177.032 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.81 -29.34 67.67 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.971 -1.08 . . . . 0.0 109.247 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m -70.31 -33.71 71.85 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -68.85 -40.5 79.32 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 175.582 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.6 -35.76 81.56 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 120.288 1.404 . . . . 0.0 110.672 176.649 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.64 -44.56 77.65 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.775 -1.203 . . . . 0.0 108.153 175.775 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -63.59 -34.22 77.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 120.516 -1.365 . . . . 0.0 111.301 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.26 -55.61 23.39 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pp -60.91 -34.29 74.45 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.627 1.103 . . . . 0.0 112.226 177.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.4 -43.66 93.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.626 1.557 . . . . 0.0 108.781 177.059 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -62.43 -47.97 81.73 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.25 1.42 . . . . 0.0 109.562 177.431 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -58.57 -47.2 85.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.643 0.777 . . . . 0.0 110.471 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 mt -58.7 -42.43 88.57 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.515 1.126 . . . . 0.0 111.275 177.172 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.91 63.25 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.789 0.835 . . . . 0.0 112.061 177.549 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -64.83 -38.86 92.39 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.472 -0.767 . . . . 0.0 111.743 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -62.57 -57.56 10.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.167 1.387 . . . . 0.0 112.115 178.046 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -67.03 -24.71 66.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.731 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.03 -36.65 4.9 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.613 1.005 . . . . 0.0 115.613 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -124.41 -44.46 2.0 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.571 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.181 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 -176.942 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.7 tp . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 m -60.59 -48.5 81.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.253 1.021 . . . . 0.0 112.256 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -62.88 -31.04 72.0 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.02 1.282 . . . . 0.0 112.049 177.568 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -47.98 78.88 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.803 0.729 . . . . 0.0 109.291 177.826 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.03 -38.8 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 O-C-N 121.748 -0.595 . . . . 0.0 109.997 177.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.43 -44.12 92.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.737 0.815 . . . . 0.0 111.552 177.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.29 96.84 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 176.728 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.89 -38.8 89.71 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 121.467 -1.02 . . . . 0.0 109.965 175.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.56 -38.33 89.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.699 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -59.87 -36.71 77.45 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.696 1.134 . . . . 0.0 108.731 178.131 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.2 -44.6 68.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.175 -0.953 . . . . 0.0 109.24 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.86 -35.9 77.78 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.963 -1.086 . . . . 0.0 110.314 177.335 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.8 -43.27 89.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.72 1.208 . . . . 0.0 109.774 175.708 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.13 -38.05 87.45 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.221 1.008 . . . . 0.0 110.083 176.316 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.57 -51.27 63.68 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-O 117.254 -1.355 . . . . 0.0 107.687 178.305 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.294 4.0 pp -63.25 -31.86 73.11 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 120.521 1.509 . . . . 0.0 112.07 177.42 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.36 -37.87 88.94 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.381 1.446 . . . . 0.0 109.324 176.287 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -64.72 -45.81 84.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.74 1.616 . . . . 0.0 108.933 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -64.26 -40.87 96.89 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.565 -1.334 . . . . 0.0 111.187 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.74 -46.93 87.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.179 1.392 . . . . 0.0 109.251 177.505 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.24 94.13 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 124.22 1.008 . . . . 0.0 110.349 177.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -64.48 -47.57 78.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.255 0.622 . . . . 0.0 111.239 177.245 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.8 -45.9 91.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.065 1.346 . . . . 0.0 111.759 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -68.17 -54.09 20.42 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.561 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -26.15 64.36 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.899 1.52 . . . . 0.0 116.899 -177.361 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -131.25 -39.59 1.16 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.072 1.436 . . . . 0.0 114.702 -177.408 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 O-C-N 121.504 -0.748 . . . . 0.0 114.051 -179.167 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -59.61 -46.23 89.59 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.4 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -66.57 -32.79 74.36 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.117 1.326 . . . . 0.0 110.929 176.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -41.87 96.02 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.209 0.913 . . . . 0.0 109.123 176.888 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.4 -44.64 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.637 1.175 . . . . 0.0 108.894 176.469 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.45 -43.87 84.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.486 1.114 . . . . 0.0 110.118 177.459 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.94 -40.7 95.7 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.72 -40.57 76.16 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.804 176.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.12 -42.31 94.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 118.994 0.815 . . . . 0.0 109.401 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.985 176.745 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -68.02 -45.21 74.61 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 110.013 177.362 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -59.83 -39.89 86.63 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.598 1.544 . . . . 0.0 110.477 176.767 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.06 -43.24 92.9 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.093 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.05 -37.87 86.59 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 110.027 177.678 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.19 -49.86 70.38 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.03 -42.74 85.97 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.558 1.143 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.9 -40.92 97.1 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.76 1.224 . . . . 0.0 110.685 176.341 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -62.15 -47.56 84.01 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 125.133 1.373 . . . . 0.0 110.404 177.409 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.39 -45.04 89.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.43 0.692 . . . . 0.0 110.712 177.53 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.67 -42.2 98.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.639 1.176 . . . . 0.0 111.314 177.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.96 91.18 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.491 1.041 . . . . 0.0 109.762 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -61.16 -48.56 81.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.323 0.649 . . . . 0.0 109.74 177.425 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.18 -68.34 0.33 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.849 1.66 . . . . 0.0 111.776 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 p -63.79 -21.25 66.33 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.277 1.431 . . . . 0.0 113.094 -176.136 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.52 -28.71 15.81 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.113 0.863 . . . . 0.0 115.194 177.155 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 m -154.23 -36.57 0.1 Allowed 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.217 -1.755 . . . . 0.0 115.719 177.515 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.387 0 C-N-CA 124.85 1.214 . . . . 0.0 114.93 -178.933 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 118.188 -0.911 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -59.21 -50.1 75.31 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 117.359 -1.305 . . . . 0.0 109.87 177.539 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -66.53 -26.83 67.33 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.367 1.439 . . . . 0.0 111.346 177.409 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -44.71 68.08 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.808 1.185 . . . . 0.0 108.299 178.11 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.07 -44.38 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.64 -38.61 78.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.891 0.877 . . . . 0.0 109.74 177.15 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.29 -40.69 94.79 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 178.579 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.66 -37.98 88.03 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.806 1.303 . . . . 0.0 108.641 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.73 -39.78 91.48 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.272 -0.892 . . . . 0.0 109.373 175.335 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.6 m -59.72 -42.34 92.86 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.76 -1.213 . . . . 0.0 108.754 176.585 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.77 -49.12 74.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.183 1.393 . . . . 0.0 109.171 177.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.35 -40.65 91.46 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.095 1.316 . . . . 0.0 110.575 177.432 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.21 -38.88 86.02 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.423 1.489 . . . . 0.0 110.096 177.202 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -64.42 -42.25 96.15 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.056 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.68 -45.92 87.91 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.02 -45.89 78.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.827 1.251 . . . . 0.0 111.021 177.499 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.19 -39.5 92.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.596 1.159 . . . . 0.0 109.464 177.369 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -67.09 -40.73 87.0 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.716 1.207 . . . . 0.0 110.568 177.3 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -65.47 -44.13 88.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 109.09 177.698 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.8 -52.95 63.53 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.718 1.607 . . . . 0.0 109.24 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.66 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.281 1.432 . . . . 0.0 111.476 177.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.4 m -57.7 -48.44 79.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 0.0 111.122 178.475 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.94 -54.9 15.17 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.787 -1.196 . . . . 0.0 112.363 -178.056 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.3 p -68.84 -17.9 64.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.19 -22.63 7.41 Favored Glycine 0 N--CA 1.486 2.002 0 C-N-CA 125.151 1.357 . . . . 0.0 114.57 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -141.86 -49.12 0.38 Allowed 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.17 1.485 . . . . 0.0 114.865 -177.636 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 C-N-CA 126.994 2.235 . . . . 0.0 118.479 -177.078 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 118.955 -0.545 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -56.78 -48.98 76.66 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.885 0.874 . . . . 0.0 111.908 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -67.13 -28.91 68.54 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.19 1.359 . . . . 0.0 111.857 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -48.08 70.25 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 119.251 0.932 . . . . 0.0 109.593 175.511 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.89 -43.26 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 125.193 1.397 . . . . 0.0 108.848 177.399 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.79 -40.75 93.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.22 1.008 . . . . 0.0 110.472 177.714 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.85 -45.58 93.85 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 177.27 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -59.01 -45.77 89.85 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 176.548 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.91 -38.47 78.99 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.297 1.439 . . . . 0.0 111.521 177.179 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -59.56 -39.66 84.76 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.144 1.338 . . . . 0.0 109.729 177.567 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.4 -42.48 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.929 0.892 . . . . 0.0 109.929 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.85 -40.57 84.66 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.276 0.944 . . . . 0.0 109.23 177.728 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.81 -41.87 99.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.055 1.342 . . . . 0.0 108.771 176.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -41.59 97.15 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.806 0.842 . . . . 0.0 110.249 176.657 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -64.65 -45.69 85.7 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.359 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.38 -46.24 89.21 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.763 1.225 . . . . 0.0 111.597 177.337 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -59.41 -38.86 81.67 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.569 1.148 . . . . 0.0 110.043 177.441 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -64.78 -48.85 72.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.638 1.175 . . . . 0.0 109.269 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.49 -45.48 88.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.782 0.833 . . . . 0.0 109.816 178.13 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.06 -40.02 83.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.484 1.514 . . . . 0.0 111.448 177.606 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.04 97.65 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.68 0.673 . . . . 0.0 110.211 177.781 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -65.86 -45.39 82.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.954 -1.091 . . . . 0.0 110.186 177.049 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -55.95 -60.96 2.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.585 1.554 . . . . 0.0 111.491 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -65.47 -13.12 58.12 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.83 -39.25 2.37 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 119.655 1.116 . . . . 0.0 115.777 178.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 m -137.38 0.9 2.35 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.239 0 C-N-CA 124.524 1.059 . . . . 0.0 112.315 -179.957 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 118.977 -0.535 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m -60.26 -46.02 91.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.109 177.206 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.0 p -68.62 -27.36 65.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.727 1.149 . . . . 0.0 111.145 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.7 -43.65 75.61 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 176.652 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.86 -41.04 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.762 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.49 -34.81 71.34 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.559 1.144 . . . . 0.0 109.244 177.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.5 -48.32 82.8 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 176.413 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -45.39 94.82 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.413 -1.051 . . . . 0.0 109.562 176.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.97 -41.31 96.13 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.953 0.901 . . . . 0.0 110.632 177.436 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.0 m -62.61 -41.69 99.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.458 1.103 . . . . 0.0 108.764 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -66.44 -43.39 85.77 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.943 1.297 . . . . 0.0 109.338 178.261 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.35 -40.76 95.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.634 1.106 . . . . 0.0 108.845 177.693 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.12 -39.12 89.66 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 123.646 0.779 . . . . 0.0 109.469 176.701 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -62.87 -40.32 97.14 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.875 0.87 . . . . 0.0 109.881 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -62.09 -48.72 78.93 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.891 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.89 -51.76 66.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.253 1.421 . . . . 0.0 109.853 177.784 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -55.3 -39.94 70.49 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.042 1.337 . . . . 0.0 110.254 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -69.15 -41.55 77.15 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.335 0.654 . . . . 0.0 110.003 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -60.58 -26.56 67.04 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.118 -0.989 . . . . 0.0 112.182 177.299 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.22 -32.54 70.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.891 176.253 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.26 65.08 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 118.748 0.704 . . . . 0.0 109.613 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -61.4 -38.35 86.75 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.245 1.018 . . . . 0.0 111.523 177.016 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.83 -60.39 2.56 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.645 -0.659 . . . . 0.0 112.022 177.278 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -60.4 -30.72 69.78 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.593 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.96 -14.44 62.74 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.974 0.797 . . . . 0.0 114.936 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.6 m -157.1 -50.14 0.07 Allowed 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.527 1.663 . . . . 0.0 114.314 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.646 0 C-N-CA 125.162 1.363 . . . . 0.0 116.429 -177.519 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 119.278 -0.392 . . . . 0.0 111.706 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -56.07 -48.81 75.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.425 1.09 . . . . 0.0 112.397 178.111 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -66.95 -32.93 74.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.45 1.477 . . . . 0.0 111.475 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.53 87.05 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.071 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.0 -39.62 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 118.043 -0.979 . . . . 0.0 109.178 177.293 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.75 -32.32 71.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.901 1.228 . . . . 0.0 111.064 177.412 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.05 -50.59 51.04 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 107.759 -2.136 . . . . 0.0 107.759 176.536 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -58.43 -46.68 86.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.222 1.011 . . . . 0.0 109.696 177.15 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.99 -31.87 69.18 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.331 1.052 . . . . 0.0 111.47 177.713 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.5 m -63.16 -37.48 87.38 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.919 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.89 -38.01 58.27 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.698 -1.144 . . . . 0.0 109.038 176.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -60.58 -37.16 80.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.9 1.227 . . . . 0.0 108.619 177.683 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.48 -49.83 69.83 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -57.67 -43.94 85.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.491 1.516 . . . . 0.0 111.329 179.676 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -58.43 -57.13 14.3 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.19 1.396 . . . . 0.0 107.817 177.484 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -60.5 -42.82 97.15 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.093 0.957 . . . . 0.0 111.899 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -58.87 -41.82 88.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.878 1.217 . . . . 0.0 110.34 176.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.7 m -64.62 -45.95 84.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.432 0.693 . . . . 0.0 110.111 177.298 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -59.89 -43.67 94.67 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.657 -0.652 . . . . 0.0 110.747 177.224 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.27 -39.85 88.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.507 1.123 . . . . 0.0 111.215 178.39 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.89 75.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.085 0.857 . . . . 0.0 109.962 177.904 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -62.24 -42.27 99.17 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.318 -0.864 . . . . 0.0 111.393 177.387 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -64.69 -41.83 95.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.202 1.001 . . . . 0.0 113.043 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -81.61 -26.54 34.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.08 -21.93 19.04 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 116.711 1.444 . . . . 0.0 116.711 178.035 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.6 m -134.05 -48.22 0.79 Allowed 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.565 -1.55 . . . . 0.0 114.991 -178.036 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -177.618 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 119.832 -0.128 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -57.54 -45.62 84.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 126.174 1.79 . . . . 0.0 112.461 -178.346 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -68.85 -32.72 72.61 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.393 0.997 . . . . 0.0 111.508 177.625 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -41.55 79.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.17 -47.07 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.316 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 tp -57.44 -37.27 72.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.618 1.167 . . . . 0.0 110.178 177.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.78 77.45 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 120.763 -1.21 . . . . 0.0 110.577 176.671 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.31 -40.38 95.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.285 1.542 . . . . 0.0 110.362 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.31 -41.69 98.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.13 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -62.31 -35.6 79.57 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.51 1.124 . . . . 0.0 109.801 177.492 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.91 -46.6 71.13 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.79 1.177 . . . . 0.0 108.209 177.697 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.37 -37.42 87.19 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 119.933 1.242 . . . . 0.0 109.26 178.272 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.95 -45.69 91.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.388 1.075 . . . . 0.0 108.149 176.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -56.92 -46.53 81.93 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 109.638 178.238 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.01 -55.37 34.81 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.305 1.042 . . . . 0.0 109.497 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 tp -51.44 -50.52 59.57 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.944 1.698 . . . . 0.0 112.433 177.914 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -61.38 -39.06 89.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.071 0.948 . . . . 0.0 111.08 177.387 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -67.28 -38.98 85.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.032 0.933 . . . . 0.0 110.689 177.411 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -62.71 -46.83 86.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.202 -0.936 . . . . 0.0 108.493 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.7 -36.62 79.23 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.24 1.016 . . . . 0.0 111.381 177.237 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -48.32 76.62 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.01 -1.056 . . . . 0.0 109.535 176.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.7 m -61.68 -39.69 92.34 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.314 -1.491 . . . . 0.0 109.415 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.71 -57.39 7.23 Favored 'General case' 0 CA--C 1.562 1.425 0 O-C-N 120.513 -1.367 . . . . 0.0 111.572 177.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.2 p -63.95 -26.02 68.4 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -178.277 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.72 -9.9 45.05 Favored Glycine 0 C--N 1.347 1.145 0 C-N-CA 125.27 1.414 . . . . 0.0 115.832 178.491 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -151.67 -51.95 0.12 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 119.669 -2.077 . . . . 0.0 115.005 177.748 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.804 0 C-N-CA 126.156 1.836 . . . . 0.0 117.324 -178.326 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.09 -0.481 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -58.19 -50.18 74.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.44 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.1 p -63.86 -34.04 77.05 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 120.08 1.309 . . . . 0.0 110.317 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -45.68 77.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.413 1.006 . . . . 0.0 109.07 -179.578 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.75 -40.94 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 119.947 -1.721 . . . . 0.0 109.279 177.474 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.78 -31.44 72.41 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.615 1.098 . . . . 0.0 109.331 175.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.45 -47.42 63.01 Favored Glycine 0 CA--C 1.543 1.83 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 177.318 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.67 -46.36 89.27 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.375 1.088 . . . . 0.0 109.103 176.82 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.71 -41.62 91.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.654 0.661 . . . . 0.0 110.253 176.886 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -62.12 -38.38 88.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.451 176.898 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.41 -39.64 85.54 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.077 0.853 . . . . 0.0 108.833 176.9 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.12 -34.79 78.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.225 0.92 . . . . 0.0 109.267 177.472 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.5 -37.97 83.63 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 176.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -66.57 -42.04 87.63 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.867 1.267 . . . . 0.0 108.032 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.92 -44.85 94.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.544 1.137 . . . . 0.0 107.95 177.155 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.63 -47.52 85.26 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.42 1.088 . . . . 0.0 110.178 177.244 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.01 -37.25 84.17 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 120.04 1.291 . . . . 0.0 110.918 176.68 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -66.47 -40.26 89.24 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.718 1.207 . . . . 0.0 108.286 178.88 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.14 -38.19 81.9 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.794 177.188 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -41.61 95.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.137 1.335 . . . . 0.0 108.854 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.21 92.06 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.951 0.796 . . . . 0.0 109.697 177.53 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -60.36 -52.8 63.71 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.936 1.294 . . . . 0.0 109.776 177.434 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -55.28 -52.69 62.61 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.504 2.322 . . . . 0.0 111.973 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -73.84 -38.44 64.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.559 1.144 . . . . 0.0 112.912 -177.906 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.62 -22.44 46.82 Favored Glycine 0 N--CA 1.475 1.237 0 O-C-N 120.638 -1.289 . . . . 0.0 116.217 -176.557 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 m -148.93 -37.45 0.17 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -179.477 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.263 0 C-N-CA 126.003 1.763 . . . . 0.0 115.304 -177.297 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -59.31 -47.89 83.68 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.4 177.554 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -65.06 -26.38 68.22 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.028 0.831 . . . . 0.0 111.439 176.591 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -45.89 70.17 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.53 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.73 -41.52 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 123.703 0.801 . . . . 0.0 109.036 176.931 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.65 -41.18 89.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.246 1.018 . . . . 0.0 111.19 177.257 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.51 88.6 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 125.39 1.471 . . . . 0.0 109.465 178.329 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.59 -49.3 78.29 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.691 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.66 -43.19 84.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.18 0.992 . . . . 0.0 110.931 177.773 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.8 m -60.65 -39.16 87.28 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.546 1.521 . . . . 0.0 109.731 177.483 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -69.03 -43.95 73.7 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.332 1.053 . . . . 0.0 109.264 177.868 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -65.71 -35.59 81.19 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.7 -1.25 . . . . 0.0 110.229 177.041 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.98 -38.57 79.42 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.633 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -62.99 -40.91 99.17 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 107.377 178.012 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -67.34 -41.96 84.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.977 0.911 . . . . 0.0 109.484 176.319 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.11 -45.06 96.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.206 1.402 . . . . 0.0 110.037 177.398 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -64.3 -34.3 77.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 109.948 176.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -65.86 -48.32 71.96 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.662 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.89 -45.48 78.6 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.327 1.051 . . . . 0.0 110.097 176.844 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.35 -38.55 89.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.681 0.793 . . . . 0.0 110.9 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.54 92.32 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.862 0.865 . . . . 0.0 109.332 177.271 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -65.3 -44.24 88.54 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.225 0.92 . . . . 0.0 109.259 177.513 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.64 -49.16 78.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.253 1.821 . . . . 0.0 112.736 178.261 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -90.09 -14.25 34.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -177.183 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.06 -18.91 11.35 Favored Glycine 0 CA--C 1.546 1.978 0 C-N-CA 125.923 1.725 . . . . 0.0 115.497 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -140.61 -50.72 0.46 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.702 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 C-N-CA 125.68 1.61 . . . . 0.0 116.695 -177.069 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 CA--C 1.544 0.729 0 CA-C-O 118.733 -0.651 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -62.86 -41.37 99.34 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.75 0.705 . . . . 0.0 111.175 176.179 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.2 p -66.25 -27.57 68.05 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.407 1.458 . . . . 0.0 109.352 176.902 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.94 74.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.626 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.39 -38.67 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.471 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -64.44 -30.7 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.363 1.065 . . . . 0.0 108.684 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.54 -47.09 43.9 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 107.609 -2.196 . . . . 0.0 107.609 177.206 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.89 -45.61 91.97 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.806 1.242 . . . . 0.0 108.43 176.549 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.17 -44.94 96.51 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.644 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.17 -38.75 87.6 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.81 0.844 . . . . 0.0 110.974 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -67.96 -48.67 65.23 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.044 1.338 . . . . 0.0 110.66 177.349 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -62.08 -36.53 81.95 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 119.83 1.195 . . . . 0.0 109.481 177.176 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.02 -38.43 85.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.837 0.855 . . . . 0.0 109.252 176.261 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -64.58 -43.27 94.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.449 1.5 . . . . 0.0 108.198 177.729 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.32 -45.78 86.41 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.324 1.05 . . . . 0.0 108.289 177.244 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.48 -47.73 84.86 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.099 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -62.64 -31.46 72.33 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 110.315 177.898 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -67.34 -46.3 73.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.553 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.21 -37.08 83.97 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.85 -39.55 94.73 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.042 1.292 . . . . 0.0 108.97 178.785 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.76 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.58 177.059 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.2 m -61.89 -39.35 91.66 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.317 -0.864 . . . . 0.0 111.551 177.279 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -62.87 -56.23 19.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.138 1.775 . . . . 0.0 110.989 177.296 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.1 p -69.17 -33.13 72.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 -9.47 59.6 Favored Glycine 0 CA--C 1.531 1.081 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.8 m -151.12 -46.09 0.12 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.345 1.573 . . . . 0.0 113.973 178.056 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.144 0 C-N-CA 124.372 0.987 . . . . 0.0 114.924 -177.91 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -57.46 -48.38 79.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.582 1.153 . . . . 0.0 112.161 178.373 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -67.46 -29.09 68.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.639 1.108 . . . . 0.0 112.016 178.103 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -42.57 77.26 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.069 1.304 . . . . 0.0 108.872 176.374 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.08 -45.24 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.246 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.01 -33.76 73.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.877 1.271 . . . . 0.0 109.782 178.136 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.18 57.37 Favored Glycine 0 N--CA 1.473 1.139 0 C-N-CA 125.732 1.634 . . . . 0.0 109.366 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.0 -43.4 95.21 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.262 1.031 . . . . 0.0 108.803 176.822 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.06 -43.13 96.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.98 0.912 . . . . 0.0 108.74 179.222 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.1 m -60.83 -41.48 95.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.741 0.816 . . . . 0.0 109.652 177.904 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -64.28 -46.69 82.56 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.436 1.494 . . . . 0.0 110.141 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.5 -41.47 94.36 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.85 1.204 . . . . 0.0 109.317 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.84 -42.05 97.68 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 118.864 0.756 . . . . 0.0 109.504 176.954 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.53 -41.56 94.72 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.813 1.245 . . . . 0.0 110.393 177.935 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.56 -45.55 89.97 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.511 1.125 . . . . 0.0 108.029 176.7 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -58.32 -48.54 80.22 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.028 0.931 . . . . 0.0 108.971 177.377 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.44 -35.28 75.46 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 124.416 1.086 . . . . 0.0 108.802 -178.793 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -62.42 -47.47 83.93 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.428 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -62.57 -37.13 84.98 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 118.532 -0.747 . . . . 0.0 111.532 176.691 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.65 -33.97 77.13 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 118.698 -0.668 . . . . 0.0 109.919 177.814 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.09 72.74 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.907 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -38.25 86.18 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 117.849 0.295 . . . . 0.0 110.254 177.725 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -62.04 -55.77 25.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.057 -1.027 . . . . 0.0 111.422 176.348 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -66.95 -27.21 67.28 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -178.41 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.95 -28.63 9.2 Favored Glycine 0 N--CA 1.477 1.431 0 CA-C-N 119.526 1.057 . . . . 0.0 114.175 -177.767 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -135.41 -45.25 0.69 Allowed 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.818 1.309 . . . . 0.0 113.388 -176.242 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.432 0 C-N-CA 125.986 1.755 . . . . 0.0 114.799 -177.081 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.6 mt . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -58.39 -50.11 74.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.401 1.001 . . . . 0.0 111.407 177.409 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.4 p -65.97 -33.29 75.47 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.366 -0.833 . . . . 0.0 110.604 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -40.25 88.07 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.772 0.715 . . . . 0.0 109.108 177.607 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.63 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.713 1.205 . . . . 0.0 108.206 177.338 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 tp -65.42 -34.67 78.84 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.62 -43.7 91.47 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 175.635 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.67 -42.59 99.71 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.73 1.212 . . . . 0.0 107.991 177.179 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.81 -46.69 88.45 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.79 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 m -60.52 -38.35 84.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.5 1.045 . . . . 0.0 110.61 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.71 -51.47 64.84 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.166 1.348 . . . . 0.0 109.658 177.458 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.16 -34.04 77.43 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.965 -1.084 . . . . 0.0 111.738 178.393 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.65 -39.53 84.6 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.458 1.103 . . . . 0.0 108.946 176.94 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -61.37 -45.16 95.54 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.591 1.156 . . . . 0.0 108.132 177.699 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -63.03 -49.73 73.46 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.761 0.824 . . . . 0.0 109.593 177.1 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.63 -46.14 81.15 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.057 1.343 . . . . 0.0 111.539 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -66.83 -27.48 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.213 1.005 . . . . 0.0 111.574 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -72.2 -41.84 66.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.259 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 177.181 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.32 -34.97 79.36 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.298 1.039 . . . . 0.0 109.396 -179.668 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.93 92.18 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.767 1.227 . . . . 0.0 108.117 178.338 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.4 m -67.51 -41.34 84.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.443 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 47.1 t30 -60.82 -53.87 52.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.309 1.444 . . . . 0.0 112.069 177.621 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -66.43 34.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 128.758 2.823 . . . . 0.0 115.066 178.469 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.29 -75.32 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 C-N-CA 126.729 2.109 . . . . 0.0 111.209 -179.254 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 m -85.25 -15.9 41.97 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.197 1.399 . . . . 0.0 114.575 -179.032 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . . . . . . 0 C--N 1.338 0.681 0 CA-C-N 119.795 1.18 . . . . 0.0 114.463 -178.414 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 118.783 -0.627 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -62.45 -41.01 98.43 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.205 0.911 . . . . 0.0 110.838 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -68.62 -30.65 69.42 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 120.4 1.455 . . . . 0.0 109.962 176.337 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -39.97 91.84 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.715 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -65.58 -45.97 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.88 -39.53 81.69 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.208 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.15 87.87 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 117.801 -1.555 . . . . 0.0 109.631 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.73 -42.85 97.83 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.738 1.269 . . . . 0.0 110.642 177.34 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.77 -42.18 98.65 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.462 1.028 . . . . 0.0 108.834 177.235 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -65.68 -33.21 75.36 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.559 -1.21 . . . . 0.0 109.56 177.298 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -72.72 -38.32 67.5 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.968 175.577 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.03 -38.68 91.97 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 121.162 1.801 . . . . 0.0 107.4 176.142 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.67 -41.89 87.44 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.488 -1.383 . . . . 0.0 108.423 177.441 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -63.09 -39.07 93.64 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.357 1.463 . . . . 0.0 108.722 177.932 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.26 -48.05 74.58 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.149 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.2 -39.36 89.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.679 177.367 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.25 -27.59 68.07 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.756 1.222 . . . . 0.0 110.208 176.822 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.1 m -69.3 -48.06 62.67 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.901 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.63 -33.23 75.46 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.823 -0.548 . . . . 0.0 110.87 177.121 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.37 -43.43 97.65 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.985 1.314 . . . . 0.0 108.747 176.757 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.35 96.28 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.069 0.85 . . . . 0.0 109.844 177.407 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.24 -46.71 87.63 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.44 -0.788 . . . . 0.0 110.295 177.371 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -58.21 -58.19 9.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.22 1.408 . . . . 0.0 112.619 179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.5 p -61.71 -5.15 1.76 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.645 2.378 . . . . 0.0 114.701 -176.54 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.35 -48.02 0.12 Allowed Glycine 0 CA--C 1.533 1.18 0 CA-C-N 119.982 1.265 . . . . 0.0 114.611 177.283 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -110.6 -2.83 16.22 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -178.321 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -177.786 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.78 -46.61 77.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.625 1.17 . . . . 0.0 112.066 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 p -66.99 -24.6 66.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.954 1.252 . . . . 0.0 110.942 176.971 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -37.73 64.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.511 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.02 -44.06 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.502 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.28 -46.25 83.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.562 1.545 . . . . 0.0 108.102 176.917 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.76 82.87 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.376 1.465 . . . . 0.0 110.024 179.111 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.5 -52.25 66.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.361 1.064 . . . . 0.0 109.936 177.551 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.52 -47.75 72.74 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.256 1.023 . . . . 0.0 111.304 178.153 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.4 m -63.02 -35.88 81.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.472 0.709 . . . . 0.0 111.463 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.84 -40.76 68.83 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.477 1.035 . . . . 0.0 109.511 177.654 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.49 -34.11 77.49 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 119.764 1.165 . . . . 0.0 108.412 177.427 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.25 -41.24 81.42 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.79 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.61 -39.48 91.41 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.163 0.985 . . . . 0.0 109.166 177.099 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -65.47 -43.68 89.5 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.464 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.62 -44.0 96.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.454 1.101 . . . . 0.0 108.989 178.649 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.29 -37.66 86.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.784 1.234 . . . . 0.0 108.939 177.108 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -67.33 -51.21 55.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.841 1.256 . . . . 0.0 108.993 178.438 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -58.12 -37.76 75.19 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.268 1.027 . . . . 0.0 110.732 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.49 -41.24 98.68 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.166 0.986 . . . . 0.0 109.658 177.733 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.02 78.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.377 1.071 . . . . 0.0 109.299 176.969 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.0 m -58.25 -44.67 88.43 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.712 -1.242 . . . . 0.0 110.274 177.916 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.77 -44.97 91.85 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.067 1.347 . . . . 0.0 112.726 178.639 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -74.87 -28.75 60.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -32.39 7.74 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 119.201 0.909 . . . . 0.0 115.336 -178.741 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -131.6 -33.21 1.44 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.952 0 CA-C-N 119.058 0.845 . . . . 0.0 114.176 -177.883 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 118.833 -0.603 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.74 -50.75 69.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.276 1.031 . . . . 0.0 111.906 177.789 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.0 p -67.44 -27.13 66.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.465 1.03 . . . . 0.0 111.652 177.442 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -44.97 68.03 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.634 1.106 . . . . 0.0 108.694 176.299 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.73 -38.95 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.476 1.11 . . . . 0.0 108.358 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.6 -38.04 89.62 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 121.075 -1.015 . . . . 0.0 108.416 178.044 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.65 -43.76 98.64 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 109.159 -1.577 . . . . 0.0 109.159 176.716 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.72 -46.02 87.32 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.055 -1.45 . . . . 0.0 108.343 176.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.9 -40.28 79.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.421 1.464 . . . . 0.0 110.118 177.759 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.0 m -64.65 -37.76 88.68 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.345 0.975 . . . . 0.0 109.199 177.512 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -68.27 -43.69 77.23 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.628 177.078 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.4 -36.16 79.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.041 1.292 . . . . 0.0 110.426 175.791 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -67.49 -44.17 79.16 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.099 0.96 . . . . 0.0 108.889 176.737 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -66.27 -36.66 83.56 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 120.221 1.373 . . . . 0.0 108.703 178.827 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.43 -46.23 87.28 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.018 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.94 -47.8 79.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.513 1.525 . . . . 0.0 109.989 177.41 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -60.51 -39.16 86.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.457 1.026 . . . . 0.0 110.824 176.948 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -65.82 -43.81 87.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.742 1.217 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -67.1 -40.35 86.87 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.649 -0.657 . . . . 0.0 109.257 177.488 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.77 -38.98 90.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.57 1.548 . . . . 0.0 109.596 177.7 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.85 87.97 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.61 0.764 . . . . 0.0 109.03 177.727 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 m -65.32 -44.02 89.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.453 1.101 . . . . 0.0 110.111 177.014 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -60.38 -56.24 23.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.075 2.15 . . . . 0.0 111.493 177.127 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.6 p -74.01 -30.42 62.44 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.908 1.283 . . . . 0.0 114.145 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.35 -11.15 54.89 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 116.584 1.394 . . . . 0.0 116.584 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.8 m -148.4 -47.49 0.15 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.854 -1.968 . . . . 0.0 114.168 177.578 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 C-N-CA 124.142 0.877 . . . . 0.0 114.58 -178.116 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 CA--C 1.538 0.506 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.61 -43.6 93.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.292 0.951 . . . . 0.0 111.75 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p -67.56 -33.32 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 110.093 177.395 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 -40.4 81.47 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.636 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.92 -46.26 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.338 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 tp -57.67 -43.0 84.7 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.924 1.238 . . . . 0.0 108.646 177.898 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.74 -44.08 98.37 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 177.29 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -62.79 -43.91 97.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.637 177.216 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.8 mt -58.42 -45.64 88.03 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.648 1.567 . . . . 0.0 109.388 177.053 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.34 -38.24 86.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.587 0.755 . . . . 0.0 110.879 176.875 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -68.55 -44.44 74.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.088 0.955 . . . . 0.0 109.894 177.581 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -40.2 95.23 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.504 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.59 -43.65 98.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.932 1.293 . . . . 0.0 109.02 177.204 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -58.54 -43.12 89.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.855 1.262 . . . . 0.0 109.135 177.295 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.63 -53.12 56.49 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.308 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.21 -48.84 67.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.38 1.472 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -56.96 -46.17 82.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.272 1.396 . . . . 0.0 111.248 177.288 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -65.33 -48.78 71.85 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.538 0.735 . . . . 0.0 111.227 178.588 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -58.14 -43.14 87.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.926 0.89 . . . . 0.0 109.863 177.598 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.16 -36.86 85.02 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 117.619 -1.181 . . . . 0.0 109.486 179.02 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.73 86.51 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.473 1.033 . . . . 0.0 109.898 176.316 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -61.76 -47.87 83.22 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.617 0.767 . . . . 0.0 110.078 177.183 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -56.31 -54.79 41.3 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.684 1.994 . . . . 0.0 112.338 177.499 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -76.12 -32.16 59.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.334 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.45 -22.45 29.16 Favored Glycine 0 CA--C 1.551 2.344 0 CA-C-O 116.849 -2.084 . . . . 0.0 117.166 -179.75 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -137.54 -29.46 0.87 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 179.933 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.216 0 O-C-N 121.312 -0.868 . . . . 0.0 113.991 -177.493 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.0 mt . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -61.13 -48.99 79.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.537 0.735 . . . . 0.0 111.712 177.754 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -63.16 -32.08 73.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.149 0.431 . . . . 0.0 110.611 177.114 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -44.15 70.34 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.174 -178.673 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.83 -53.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.038 1.335 . . . . 0.0 110.53 176.871 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.18 -43.54 92.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.125 0.97 . . . . 0.0 111.744 177.449 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.41 -46.33 94.08 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.99 1.281 . . . . 0.0 110.251 178.397 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.42 -42.51 98.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.92 177.518 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.27 -51.05 70.93 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.426 1.466 . . . . 0.0 108.843 176.936 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.3 -37.2 79.8 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.81 0.814 . . . . 0.0 109.178 -179.251 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.12 -42.25 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.051 -2.281 . . . . 0.0 110.423 179.58 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.09 -39.93 93.89 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.8 1.182 . . . . 0.0 108.237 177.577 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.38 -40.88 98.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.494 0.718 . . . . 0.0 110.205 176.395 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.77 -42.08 98.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.484 1.114 . . . . 0.0 108.682 176.604 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -63.46 -44.43 94.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.838 0.745 . . . . 0.0 109.114 177.253 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.57 -45.7 88.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 117.525 -1.226 . . . . 0.0 109.923 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -57.01 -52.33 65.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.845 1.202 . . . . 0.0 109.944 177.43 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -60.05 -46.89 88.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.287 1.035 . . . . 0.0 112.965 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.43 -42.99 98.69 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.885 -1.135 . . . . 0.0 110.928 177.391 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -63.74 -38.84 92.62 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.2 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.96 95.42 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.48 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 m -61.24 -45.98 92.3 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 0.0 110.264 176.896 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.72 -51.32 60.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.776 0.83 . . . . 0.0 112.953 178.406 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -69.04 -25.34 64.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.979 1.312 . . . . 0.0 113.912 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.56 -34.33 5.83 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.451 1.501 . . . . 0.0 115.457 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -123.83 2.52 8.79 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -178.422 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 C-N-CA 124.909 1.243 . . . . 0.0 114.898 -178.546 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 118.638 -0.696 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -60.62 -48.69 80.66 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.223 0.92 . . . . 0.0 110.549 177.063 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.4 p -65.66 -27.64 68.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.854 0.752 . . . . 0.0 111.612 177.208 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -42.86 70.25 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 121.302 -0.873 . . . . 0.0 108.844 177.004 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.48 -42.87 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.648 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -59.23 -46.35 88.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.855 1.262 . . . . 0.0 108.642 177.181 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.56 -42.16 95.9 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.971 1.272 . . . . 0.0 111.097 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.03 -40.43 97.7 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.656 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.83 -41.18 95.95 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.524 1.056 . . . . 0.0 109.461 176.791 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.8 -39.94 95.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.518 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -62.59 -47.62 83.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.801 1.641 . . . . 0.0 109.647 177.194 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.99 -48.68 80.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.503 1.047 . . . . 0.0 109.134 177.078 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.11 -43.78 82.64 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.604 1.093 . . . . 0.0 111.439 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.39 -43.69 92.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.616 1.166 . . . . 0.0 110.192 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -64.0 -52.94 57.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.99 0.916 . . . . 0.0 109.282 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.91 -48.2 80.58 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -176.613 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -55.98 -45.05 79.09 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 120.044 1.293 . . . . 0.0 111.159 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.5 m -67.5 -44.64 77.97 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.004 -1.06 . . . . 0.0 111.223 178.373 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.0 -43.05 91.44 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 120.135 1.334 . . . . 0.0 110.593 177.418 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -61.69 -40.56 95.42 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.402 1.481 . . . . 0.0 110.015 177.41 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.9 -45.55 85.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.369 0.668 . . . . 0.0 110.686 176.691 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -60.64 -46.27 90.93 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.21 1.004 . . . . 0.0 109.06 179.232 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.76 -52.19 65.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.376 1.47 . . . . 0.0 112.519 179.058 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.2 p -71.38 -34.51 70.49 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -179.811 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.26 -30.85 11.49 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.757 1.17 . . . . 0.0 115.326 -177.479 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -136.31 -6.48 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -175.43 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 CA-C-N 120.304 1.411 . . . . 0.0 115.541 -178.36 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -62.24 -46.7 87.68 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.76 0.709 . . . . 0.0 110.821 177.228 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.1 p -68.63 -20.31 64.47 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.905 0.775 . . . . 0.0 110.275 177.143 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -42.33 60.71 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.798 -1.189 . . . . 0.0 107.843 177.996 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -61.69 -44.56 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 177.349 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.26 -46.68 89.35 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.263 1.425 . . . . 0.0 110.269 177.296 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -44.41 97.96 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 124.87 1.224 . . . . 0.0 111.87 177.377 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.99 -38.58 82.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.264 1.032 . . . . 0.0 110.569 176.843 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.33 -43.34 94.93 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.152 176.659 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -64.33 -36.65 84.83 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 118.871 0.759 . . . . 0.0 111.39 177.224 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -63.11 -52.69 61.61 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.823 1.249 . . . . 0.0 109.242 177.702 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -64.09 -34.32 77.78 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.208 -0.933 . . . . 0.0 110.925 177.345 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.8 -39.48 93.67 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.842 1.201 . . . . 0.0 109.32 177.805 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -63.97 -42.45 97.26 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.473 0.579 . . . . 0.0 109.939 176.871 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.02 -48.64 80.83 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 123.59 0.756 . . . . 0.0 109.704 176.606 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.25 -48.81 70.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.605 1.562 . . . . 0.0 111.038 177.761 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.39 -43.95 97.98 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.252 0.933 . . . . 0.0 111.401 177.902 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.5 m -62.61 -45.84 91.05 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.507 -1.371 . . . . 0.0 110.677 176.577 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -66.31 -31.9 72.97 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.803 -1.185 . . . . 0.0 111.739 177.265 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.48 -42.14 96.06 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.98 1.264 . . . . 0.0 108.684 176.902 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.06 89.62 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.179 0.592 . . . . 0.0 109.549 177.146 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -64.46 -41.4 96.54 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.1 0.96 . . . . 0.0 110.614 176.948 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.02 -49.43 67.74 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.982 1.713 . . . . 0.0 111.717 177.376 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -72.73 -32.67 65.87 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.755 0.822 . . . . 0.0 113.138 -179.763 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.41 -13.74 56.71 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.012 1.291 . . . . 0.0 114.493 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.9 m -146.99 -51.09 0.2 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.398 1.599 . . . . 0.0 113.536 177.73 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.262 0 N-CA-C 116.372 1.309 . . . . 0.0 116.372 -177.563 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -63.09 -44.16 96.49 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.88 176.874 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -66.94 -28.57 68.4 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.146 1.339 . . . . 0.0 110.947 176.903 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -42.8 82.94 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 177.621 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.07 -43.13 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.34 -41.67 80.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.457 1.503 . . . . 0.0 108.116 177.188 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.27 96.42 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 108.052 -2.019 . . . . 0.0 108.052 178.927 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.25 -37.91 87.27 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.585 1.192 . . . . 0.0 109.699 177.43 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.84 -46.86 87.65 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.164 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m -60.09 -35.79 75.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.005 0.522 . . . . 0.0 110.498 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -69.75 -44.17 70.75 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.407 1.083 . . . . 0.0 111.333 177.996 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.05 -38.9 92.74 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.025 1.284 . . . . 0.0 109.646 175.518 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -43.1 95.59 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 176.936 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -63.15 -36.55 83.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.873 0.869 . . . . 0.0 110.702 177.16 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.89 -47.41 85.89 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.568 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.76 -45.5 94.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.707 177.034 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -58.35 -46.65 85.85 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.369 0.986 . . . . 0.0 111.808 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.7 m -58.05 -56.0 27.66 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.453 1.101 . . . . 0.0 109.893 178.34 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -66.68 -28.39 68.41 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.222 0.919 . . . . 0.0 112.701 179.55 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 tp -69.36 -34.82 75.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.928 1.24 . . . . 0.0 108.049 176.687 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.69 78.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.638 1.175 . . . . 0.0 108.09 176.579 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.2 m -62.01 -41.41 98.04 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.366 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.25 -55.42 21.62 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.721 1.608 . . . . 0.0 111.597 177.994 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -69.9 -28.4 65.59 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.58 1.152 . . . . 0.0 113.811 -178.103 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -27.01 13.79 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-N 119.202 0.91 . . . . 0.0 115.075 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -137.05 -47.44 0.59 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.901 1.35 . . . . 0.0 113.477 -177.85 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.278 0 C-N-CA 125.69 1.614 . . . . 0.0 117.021 -177.941 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -60.63 -43.81 97.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 117.638 -1.173 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 p -67.39 -29.29 68.76 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.897 1.68 . . . . 0.0 110.49 177.679 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -40.9 80.44 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 119.847 1.203 . . . . 0.0 108.336 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.65 -42.36 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 O-C-N 120.418 -1.426 . . . . 0.0 108.003 177.26 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -61.68 -36.97 82.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.077 1.351 . . . . 0.0 107.925 177.854 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -43.31 86.8 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 127.113 2.292 . . . . 0.0 109.528 178.185 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.31 -52.38 65.9 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.214 1.507 . . . . 0.0 108.342 177.368 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.74 -41.54 91.17 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.228 0.467 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.1 m -60.73 -42.61 97.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.457 0.703 . . . . 0.0 110.861 177.198 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 117.98 -1.009 . . . . 0.0 111.504 177.297 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.47 -39.95 92.58 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.237 1.381 . . . . 0.0 107.725 176.966 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.616 -1.302 . . . . 0.0 107.898 176.069 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.37 -38.39 89.38 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.151 0.98 . . . . 0.0 109.965 178.098 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.51 -46.72 87.16 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 176.577 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.06 -39.01 88.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.799 -1.096 . . . . 0.0 110.901 176.88 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -60.74 -47.77 84.8 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.247 1.385 . . . . 0.0 109.418 176.604 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 m -61.93 -55.06 33.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 177.222 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -59.72 -36.21 76.11 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.851 0.86 . . . . 0.0 112.829 179.11 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.35 -33.98 72.1 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.505 1.048 . . . . 0.0 108.671 177.532 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.19 -42.09 89.33 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 176.722 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -63.08 -43.12 99.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.283 1.033 . . . . 0.0 109.651 177.705 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.27 -53.7 53.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.33 1.452 . . . . 0.0 112.397 176.167 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -69.96 -36.15 75.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.647 1.179 . . . . 0.0 113.656 -177.974 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.53 -4.18 58.26 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.788 1.475 . . . . 0.0 116.788 -178.045 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.6 m -152.67 -42.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.75 1.775 . . . . 0.0 114.791 177.063 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.11 0 C-N-CA 125.004 1.288 . . . . 0.0 115.66 -177.217 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.477 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -62.71 -47.27 84.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.835 1.198 . . . . 0.0 111.314 177.229 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p -65.76 -30.39 71.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.303 -0.873 . . . . 0.0 110.771 177.184 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -46.89 73.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.532 0.733 . . . . 0.0 109.831 177.157 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.11 -48.52 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 118.301 -0.857 . . . . 0.0 108.908 177.234 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.7 tp -55.55 -41.61 73.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.84 0.746 . . . . 0.0 110.691 177.69 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.82 93.18 Favored Glycine 0 N--CA 1.477 1.374 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 177.043 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.17 -41.37 97.17 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.465 178.341 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.01 -43.93 98.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.541 1.064 . . . . 0.0 109.282 177.033 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.6 m -62.72 -34.06 76.39 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.381 0.672 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -70.98 -40.57 71.84 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.106 0.962 . . . . 0.0 110.615 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.96 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 120.62 1.555 . . . . 0.0 108.279 175.886 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.99 -42.6 97.16 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.375 1.07 . . . . 0.0 108.897 176.499 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -61.56 -42.53 98.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.831 1.252 . . . . 0.0 109.677 176.997 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -60.17 -50.95 71.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.357 1.063 . . . . 0.0 108.582 176.976 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.21 -47.53 78.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.467 1.107 . . . . 0.0 110.785 177.418 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -58.24 -50.14 74.62 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 111.503 177.4 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -61.28 -54.01 49.5 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.701 0.801 . . . . 0.0 111.033 177.242 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -63.87 -28.7 70.02 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.144 -0.931 . . . . 0.0 112.578 -178.44 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 tp -68.04 -38.44 82.51 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.62 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.02 89.84 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.688 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.6 m -61.84 -45.52 93.45 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.565 -0.709 . . . . 0.0 109.337 177.264 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.71 -51.01 71.19 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.314 -1.491 . . . . 0.0 112.364 177.452 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 p -72.28 -29.02 63.48 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -177.911 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.57 -19.89 8.06 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -178.097 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -129.52 -34.66 1.78 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -178.937 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.995 0 C-N-CA 125.346 1.451 . . . . 0.0 113.773 -179.338 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -60.16 -45.97 91.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.367 0.985 . . . . 0.0 111.257 -179.369 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -64.84 -30.34 71.34 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.664 -1.272 . . . . 0.0 110.569 176.967 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -38.76 73.68 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.448 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.56 -49.7 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.521 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.33 -28.67 70.16 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.605 -0.684 . . . . 0.0 109.985 179.204 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.83 -44.97 60.13 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 126.984 2.231 . . . . 0.0 108.543 176.774 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.43 -45.61 83.17 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.01 -44.61 91.73 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.016 177.89 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -60.7 -38.74 86.04 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.126 0.97 . . . . 0.0 111.047 175.949 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -67.3 -41.95 84.53 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.854 1.262 . . . . 0.0 109.306 178.013 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.32 -42.03 99.04 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.253 1.388 . . . . 0.0 108.493 176.743 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.1 -44.13 97.83 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.825 -1.172 . . . . 0.0 109.499 176.625 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.47 -37.43 85.92 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 179.016 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.01 -50.31 71.24 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.149 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.84 -47.69 79.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.118 0.967 . . . . 0.0 110.792 178.053 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.35 -38.36 74.03 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 111.439 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -54.2 17.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.704 0.801 . . . . 0.0 109.984 176.859 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -57.73 -28.85 64.25 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.911 1.684 . . . . 0.0 113.222 179.088 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.25 -44.9 93.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.7 1.2 . . . . 0.0 109.091 176.583 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.57 -43.55 69.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.625 1.17 . . . . 0.0 108.972 177.532 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -58.75 -43.12 90.18 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.404 -0.81 . . . . 0.0 110.021 177.729 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.4 -53.56 54.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.793 1.637 . . . . 0.0 111.168 177.803 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -72.13 -23.5 61.32 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -177.326 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.97 -25.17 6.26 Favored Glycine 0 N--CA 1.474 1.172 0 N-CA-C 117.617 1.807 . . . . 0.0 117.617 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 m -137.77 -23.5 1.06 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.412 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 CA-C-N 120.234 1.379 . . . . 0.0 114.09 -178.709 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -54.0 -53.44 52.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.59 1.156 . . . . 0.0 112.375 -178.338 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.7 p -65.36 -29.71 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 119.179 -0.439 . . . . 0.0 111.757 176.911 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.68 -39.84 95.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.866 0.757 . . . . 0.0 111.186 177.228 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.48 -45.84 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.591 1.087 . . . . 0.0 109.439 177.391 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.43 -41.08 88.75 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.443 1.097 . . . . 0.0 111.12 176.751 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.8 89.04 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.171 1.367 . . . . 0.0 110.393 178.339 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -59.86 -49.45 77.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.787 177.178 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.38 -43.58 75.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.507 0.723 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -62.52 -41.18 98.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.624 0.77 . . . . 0.0 111.641 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -67.9 -42.69 80.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.555 1.142 . . . . 0.0 110.676 177.794 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.3 -36.92 85.68 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.007 -1.058 . . . . 0.0 109.079 176.939 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.46 -41.55 93.26 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.562 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -62.89 -34.6 77.74 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.888 -1.757 . . . . 0.0 109.895 177.093 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.78 -45.64 81.7 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 119.491 -2.006 . . . . 0.0 106.967 176.883 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.56 -41.12 89.43 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.244 1.384 . . . . 0.0 109.865 177.077 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.2 -37.87 88.93 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.457 1.026 . . . . 0.0 110.606 176.294 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -65.51 -49.89 67.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.237 -1.539 . . . . 0.0 109.658 176.118 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -56.54 -42.34 78.31 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.19 0.996 . . . . 0.0 109.582 178.001 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.4 -39.64 92.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.244 1.418 . . . . 0.0 107.365 -178.025 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -47.66 75.88 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 119.384 0.993 . . . . 0.0 109.464 177.377 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -59.31 -45.95 89.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.78 0.832 . . . . 0.0 109.493 178.135 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.26 -57.15 14.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.741 1.616 . . . . 0.0 112.095 177.985 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -69.08 -25.9 64.67 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -177.872 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.33 7.5 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 115.866 1.106 . . . . 0.0 115.866 -177.435 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -134.18 -40.51 0.83 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -176.944 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 CA-C-O 118.907 -0.941 . . . . 0.0 115.426 -177.787 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -60.56 -45.39 94.09 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.809 1.244 . . . . 0.0 111.336 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -66.15 -31.17 71.86 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.166 0.893 . . . . 0.0 111.257 177.011 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -46.61 68.61 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.537 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.61 -52.14 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 117.889 -1.053 . . . . 0.0 109.888 178.393 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.93 -40.46 76.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 120.004 1.275 . . . . 0.0 110.784 177.986 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -50.08 62.99 Favored Glycine 0 CA--C 1.554 2.484 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.18 -51.51 69.27 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.03 177.495 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -52.62 -46.0 66.84 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.431 1.469 . . . . 0.0 111.152 178.565 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -63.13 -41.12 99.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.887 . . . . 0.0 111.134 177.308 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.98 -40.67 91.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.217 1.007 . . . . 0.0 110.721 177.224 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.03 -43.64 91.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.328 1.051 . . . . 0.0 108.909 177.389 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.99 -42.73 94.86 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.33 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.42 -40.04 92.96 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 124.299 1.039 . . . . 0.0 109.741 177.314 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.59 -42.66 99.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 117.817 -1.087 . . . . 0.0 108.608 177.527 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.29 -43.03 92.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.966 0.803 . . . . 0.0 109.823 177.904 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -55.39 -51.05 68.09 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -64.74 -47.19 79.13 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.153 0.981 . . . . 0.0 109.354 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -54.4 -44.08 72.03 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.348 1.059 . . . . 0.0 111.83 177.719 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.05 -50.21 74.94 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.154 0.982 . . . . 0.0 109.386 178.32 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.79 98.24 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.877 0.471 . . . . 0.0 112.057 177.969 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -62.57 -37.93 88.11 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.289 -0.882 . . . . 0.0 110.354 177.078 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -64.39 -48.4 75.57 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.952 -1.717 . . . . 0.0 112.445 178.0 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -76.42 -31.81 58.13 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.34 1.427 . . . . 0.0 113.826 177.992 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -7.97 54.69 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 118.051 1.98 . . . . 0.0 118.051 -176.725 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -146.4 -36.74 0.25 Allowed 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 178.381 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.725 0 CA-C-N 119.281 0.946 . . . . 0.0 113.988 -178.705 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -61.22 -45.57 94.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.877 177.509 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -65.38 -28.59 69.37 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.91 1.686 . . . . 0.0 110.248 177.457 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -43.93 70.17 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.609 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.86 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 120.042 1.292 . . . . 0.0 108.085 177.535 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.8 -43.33 94.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.734 1.614 . . . . 0.0 108.203 178.05 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -44.92 92.39 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 178.308 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -58.35 -53.62 56.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.09 -1.433 . . . . 0.0 110.033 176.864 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -53.77 -46.7 71.05 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.211 1.368 . . . . 0.0 110.946 176.807 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.6 m -62.0 -36.79 82.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.404 178.163 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -75.76 -29.27 58.77 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -69.55 -36.82 76.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 177.298 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.45 -39.68 85.36 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 176.484 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -66.02 -35.27 80.09 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.55 1.068 . . . . 0.0 108.823 176.927 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -65.04 -41.78 94.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 -179.189 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.92 -42.09 88.86 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 177.958 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -61.37 -47.92 83.63 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.586 -1.321 . . . . 0.0 108.645 -179.422 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.0 m -60.99 -48.83 79.99 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 124.85 1.26 . . . . 0.0 110.759 176.233 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -61.22 -42.95 99.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.565 1.546 . . . . 0.0 110.894 178.168 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.6 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.294 1.406 . . . . 0.0 109.024 177.416 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.1 87.64 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.051 0.841 . . . . 0.0 109.909 177.649 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.1 m -66.94 -47.05 72.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.195 0.998 . . . . 0.0 110.149 177.506 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.05 -55.41 35.44 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.718 2.807 . . . . 0.0 111.972 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -70.77 -36.66 73.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.8 -40.77 8.59 Favored Glycine 0 CA--C 1.554 2.473 0 N-CA-C 120.043 2.777 . . . . 0.0 120.043 179.243 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.2 m -125.38 -22.81 4.25 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -177.181 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.325 0 N-CA-C 119.159 2.424 . . . . 0.0 119.159 -177.583 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -56.55 -47.69 78.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.88 1.272 . . . . 0.0 111.736 178.328 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.8 p -65.15 -32.65 74.45 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.056 178.366 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -40.91 85.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.801 0.84 . . . . 0.0 109.915 177.193 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.71 -50.67 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.2 1.4 . . . . 0.0 108.159 177.71 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.86 -51.38 63.81 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.627 1.571 . . . . 0.0 110.803 177.268 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.96 98.69 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 117.944 -1.476 . . . . 0.0 112.682 178.216 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.29 -43.6 97.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 116.46 -1.733 . . . . 0.0 110.987 177.039 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.92 -39.57 81.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 117.236 -1.364 . . . . 0.0 107.892 178.355 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.9 m -66.79 -35.91 81.17 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 116.053 -1.927 . . . . 0.0 107.534 -177.664 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -71.97 -33.11 67.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.475 1.489 . . . . 0.0 110.405 177.575 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -68.91 -38.58 79.68 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.051 1.751 . . . . 0.0 106.616 177.697 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.7 mt -66.9 -36.35 82.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.192 1.397 . . . . 0.0 108.014 177.642 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -65.52 -40.24 92.72 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.124 -1.61 . . . . 0.0 108.048 179.066 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.91 -45.25 94.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.227 177.188 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.29 -40.39 81.81 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.239 1.016 . . . . 0.0 109.753 176.856 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -65.2 -40.27 93.96 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.601 1.091 . . . . 0.0 108.21 178.07 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -64.12 -46.21 85.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.06 -1.025 . . . . 0.0 108.804 178.103 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -57.9 -43.84 86.4 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.577 1.08 . . . . 0.0 110.87 177.658 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.82 -39.43 94.27 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.3 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.49 83.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.644 1.111 . . . . 0.0 109.599 177.066 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.3 m -66.54 -41.59 88.49 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.679 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.51 -52.86 61.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.389 1.076 . . . . 0.0 113.092 178.003 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.3 p -65.54 -43.66 89.23 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -179.34 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.55 -24.47 12.21 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.992 1.957 . . . . 0.0 117.992 -177.578 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -123.67 -14.67 7.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 118.188 2.662 . . . . 0.0 118.188 -178.971 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 120.009 2.763 . . . . 0.0 120.009 177.693 . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -56.98 -49.53 75.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.666 1.187 . . . . 0.0 112.196 177.795 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -67.34 -31.26 71.41 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.744 0.702 . . . . 0.0 110.561 177.449 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -38.23 86.7 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.981 0.81 . . . . 0.0 110.136 176.632 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.11 -44.99 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.904 1.229 . . . . 0.0 109.25 176.552 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.62 -44.75 93.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.347 0.659 . . . . 0.0 110.776 177.508 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -50.41 66.4 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.726 1.155 . . . . 0.0 111.248 176.311 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.69 -47.42 84.58 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.727 1.211 . . . . 0.0 110.516 176.816 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.6 -50.97 64.5 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.883 1.22 . . . . 0.0 109.455 177.618 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.6 m -64.96 -34.33 78.16 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.717 178.619 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -71.7 -35.01 70.11 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.163 1.347 . . . . 0.0 110.36 176.906 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -68.94 -39.29 79.65 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.234 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.58 -34.7 78.86 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.719 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -62.77 -46.22 89.02 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.494 -1.379 . . . . 0.0 108.393 175.847 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.03 -47.72 84.2 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.807 0.843 . . . . 0.0 109.127 176.803 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.61 -46.74 77.29 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 117.538 -1.22 . . . . 0.0 109.997 177.369 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.43 -38.01 88.08 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.211 0.914 . . . . 0.0 110.213 177.206 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -62.92 -47.38 83.5 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.895 1.225 . . . . 0.0 109.71 178.067 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -60.95 -52.23 65.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.02 0.928 . . . . 0.0 111.219 177.444 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -60.48 -43.03 97.38 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.857 1.263 . . . . 0.0 112.502 179.348 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.66 99.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.802 0.841 . . . . 0.0 110.402 177.429 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -65.47 -45.0 85.42 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.847 0.459 . . . . 0.0 110.651 177.115 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.0 -49.51 75.76 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 112.833 178.272 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.6 p -72.35 -45.55 59.4 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.338 1.055 . . . . 0.0 112.873 179.098 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.5 -16.55 80.19 Favored Glycine 0 CA--C 1.544 1.854 0 N-CA-C 116.31 1.284 . . . . 0.0 116.31 -177.548 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 m -153.69 -37.71 0.1 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 178.199 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.819 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 -177.507 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -58.06 -47.91 81.73 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.618 -0.706 . . . . 0.0 111.686 177.265 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -66.04 -28.1 68.6 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.695 1.134 . . . . 0.0 110.754 177.026 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -41.99 79.12 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.168 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.94 -41.59 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 177.272 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.07 -41.01 97.71 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.469 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.0 -47.02 92.21 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 107.611 -2.196 . . . . 0.0 107.611 178.618 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.41 -42.96 99.57 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 116.68 -1.628 . . . . 0.0 108.581 178.965 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.48 -44.78 95.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.859 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.42 -36.19 81.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.916 -0.564 . . . . 0.0 110.857 176.873 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.1 -39.62 78.87 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.797 1.239 . . . . 0.0 109.353 176.734 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.48 -39.4 85.23 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 179.352 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.26 -43.93 95.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.375 1.07 . . . . 0.0 109.418 175.48 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.49 -39.59 93.95 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.474 1.109 . . . . 0.0 110.664 177.138 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -61.72 -43.7 98.34 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.954 -1.091 . . . . 0.0 109.126 176.821 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.11 -47.86 81.95 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.783 0.72 . . . . 0.0 109.73 177.379 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.52 -40.47 87.24 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.583 0.629 . . . . 0.0 111.331 177.227 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -64.58 -48.16 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.037 1.335 . . . . 0.0 111.123 178.093 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -59.13 -52.07 67.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.514 1.126 . . . . 0.0 109.785 177.276 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.65 -54.41 41.99 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.948 1.299 . . . . 0.0 112.277 178.815 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.47 70.49 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 178.04 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.6 m -70.42 -39.82 74.18 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.552 -0.717 . . . . 0.0 110.438 177.394 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.79 -45.57 74.41 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.07 1.348 . . . . 0.0 112.905 179.819 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.9 p -71.8 -20.54 61.84 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.359 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.82 -72.7 1.19 Allowed Glycine 0 CA--C 1.551 2.305 0 C-N-CA 124.324 0.964 . . . . 0.0 113.11 178.615 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -97.64 -19.72 18.1 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.4 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 117.811 1.884 . . . . 0.0 117.811 -177.183 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.7 mt . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -55.15 -49.93 70.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 112.028 -179.224 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -64.53 -31.17 72.27 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.874 0.761 . . . . 0.0 110.635 178.683 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -39.0 84.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.278 -0.889 . . . . 0.0 109.783 176.88 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 t -64.3 -47.16 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 119.622 1.101 . . . . 0.0 108.662 177.37 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.43 -41.6 76.68 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.521 1.128 . . . . 0.0 112.31 177.023 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.75 48.22 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.09 0.852 . . . . 0.0 111.502 176.519 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.93 -44.62 87.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.498 1.119 . . . . 0.0 111.142 177.842 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.38 -46.24 91.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.541 0.737 . . . . 0.0 109.487 177.374 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 m -58.27 -38.07 76.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.762 0.825 . . . . 0.0 110.906 177.379 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -66.98 -42.51 84.96 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.498 0.719 . . . . 0.0 109.734 177.87 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.22 -39.66 94.44 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.772 -1.205 . . . . 0.0 109.577 177.497 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.05 -43.99 94.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.082 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.74 -41.3 99.12 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.972 178.994 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.55 -46.69 88.17 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.748 1.158 . . . . 0.0 110.294 177.132 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.98 -43.33 86.45 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 110.94 176.288 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.18 -41.21 99.17 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.404 0.682 . . . . 0.0 110.969 177.354 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -64.13 -45.15 89.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.936 0.789 . . . . 0.0 110.736 176.752 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -60.32 -51.42 69.59 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 123.18 0.592 . . . . 0.0 110.382 177.26 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.9 mt -59.13 -44.63 92.04 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.017 1.327 . . . . 0.0 112.84 178.656 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.99 87.72 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 118.858 0.754 . . . . 0.0 110.92 176.758 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 m -72.67 -33.13 66.34 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.095 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.47 -44.04 92.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.09 1.356 . . . . 0.0 111.621 176.915 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -76.61 -34.79 58.35 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.715 0.688 . . . . 0.0 111.582 177.727 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.58 -25.21 59.13 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 115.455 0.942 . . . . 0.0 115.455 -179.174 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -152.11 -37.73 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.92 1.86 . . . . 0.0 114.379 -178.726 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.448 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 -176.865 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -57.64 -48.21 80.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.661 0.784 . . . . 0.0 110.974 178.505 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -65.1 -29.54 70.41 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.723 177.72 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.64 78.59 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 119.992 1.269 . . . . 0.0 109.106 177.339 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.6 -42.11 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.747 -1.221 . . . . 0.0 108.479 176.781 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.24 -40.64 94.77 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.985 -1.072 . . . . 0.0 109.268 176.81 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.33 98.15 Favored Glycine 0 CA--C 1.541 1.658 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 177.115 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -47.42 84.79 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.951 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.8 -44.5 90.8 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.226 1.01 . . . . 0.0 110.559 176.939 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -56.9 -44.85 82.78 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.145 0.978 . . . . 0.0 111.723 175.515 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.05 -49.46 74.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.291 1.436 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -61.47 -42.41 98.74 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.227 0.921 . . . . 0.0 110.553 177.062 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.61 -38.55 88.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -65.71 -41.48 92.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -178.561 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.65 -51.85 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 119.127 0.876 . . . . 0.0 109.009 176.377 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.74 -47.6 79.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.739 0.816 . . . . 0.0 110.677 177.209 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -60.72 -37.41 81.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.315 1.046 . . . . 0.0 110.944 177.345 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -67.16 -47.73 70.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.487 1.515 . . . . 0.0 109.343 177.284 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -60.47 -44.9 95.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.413 -0.804 . . . . 0.0 109.822 177.436 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -58.92 -52.67 64.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.966 1.306 . . . . 0.0 110.472 177.161 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.36 78.44 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.98 0.895 . . . . 0.0 112.68 177.434 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -67.92 -38.65 83.16 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 176.672 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.18 -42.0 80.62 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.283 -1.511 . . . . 0.0 111.501 178.056 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -72.16 -36.13 69.21 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.958 1.254 . . . . 0.0 113.319 178.057 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.81 -16.45 51.63 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.199 1.64 . . . . 0.0 117.199 -179.134 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -139.48 -48.87 0.48 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.079 1.352 . . . . 0.0 114.644 178.525 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 N-CA-C 117.774 1.87 . . . . 0.0 117.774 -177.987 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 118.742 -0.647 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -62.08 -45.52 93.16 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.167 0.894 . . . . 0.0 111.213 177.431 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.5 p -63.61 -28.91 70.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.678 1.581 . . . . 0.0 110.683 177.107 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.62 71.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.144 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.75 -45.15 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.627 1.171 . . . . 0.0 108.527 177.04 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -41.93 97.46 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.831 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.8 97.68 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 124.764 1.173 . . . . 0.0 110.421 178.308 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.16 -45.61 87.67 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 176.577 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.78 -38.95 79.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.709 176.851 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 m -60.17 -40.2 89.08 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 120.284 1.402 . . . . 0.0 110.149 176.934 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -69.32 -39.62 78.11 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.006 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.93 -37.93 86.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.584 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.73 -42.14 98.57 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 176.82 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -63.19 -38.66 92.04 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.79 -0.569 . . . . 0.0 109.712 177.092 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.86 -45.02 87.81 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.254 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.75 -45.3 86.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.316 1.446 . . . . 0.0 109.629 177.415 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.7 -35.69 80.53 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.028 0.831 . . . . 0.0 110.467 176.691 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -66.49 -46.31 76.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.745 1.218 . . . . 0.0 110.051 176.975 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -62.14 -44.19 97.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.867 0.867 . . . . 0.0 109.411 177.314 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.34 -48.39 81.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.488 1.515 . . . . 0.0 111.569 177.098 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.78 93.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.861 0.864 . . . . 0.0 111.117 176.867 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -60.01 -47.32 86.34 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.122 0.969 . . . . 0.0 110.297 177.289 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.34 -49.22 67.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.491 1.516 . . . . 0.0 113.218 -178.344 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.77 -34.86 76.28 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.933 1.293 . . . . 0.0 113.457 179.675 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.39 -21.03 28.09 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 179.294 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -146.31 -26.39 0.43 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -177.556 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.267 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -178.568 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 119.241 -0.409 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -57.87 -50.09 74.5 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.853 -178.413 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.4 p -63.12 -31.98 73.25 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 119.513 1.051 . . . . 0.0 110.994 178.265 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -38.87 74.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.048 -1.658 . . . . 0.0 110.292 178.076 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.17 -45.94 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 115.835 -2.031 . . . . 0.0 108.514 177.584 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.53 -32.14 73.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 126.571 2.42 . . . . 0.0 109.941 177.821 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.05 -44.61 76.86 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 178.772 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.85 -43.11 99.5 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.298 1.039 . . . . 0.0 109.105 177.744 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -44.98 89.12 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.96 -34.45 76.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.721 -0.612 . . . . 0.0 112.159 177.171 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.5 -49.45 71.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.611 1.164 . . . . 0.0 110.438 177.565 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -64.79 -40.37 95.12 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 117.597 -1.192 . . . . 0.0 109.514 177.844 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.06 -39.66 90.69 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.989 0.813 . . . . 0.0 110.901 177.251 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.88 -38.47 91.01 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.895 0.77 . . . . 0.0 109.804 178.882 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 118.254 -0.879 . . . . 0.0 108.781 176.949 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.61 -35.22 77.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 115.712 -2.089 . . . . 0.0 110.555 178.069 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -63.9 -43.85 94.75 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 119.584 1.083 . . . . 0.0 109.287 178.224 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.3 m -69.29 -40.76 77.52 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.127 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.5 -55.43 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.196 1.398 . . . . 0.0 110.112 177.127 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.71 -47.11 83.33 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.925 1.69 . . . . 0.0 112.596 177.659 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.96 89.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.593 0.757 . . . . 0.0 111.825 177.345 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 m -66.65 -47.51 72.3 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.544 0.688 . . . . 0.0 111.018 177.54 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.04 -53.54 57.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.968 1.707 . . . . 0.0 114.53 -179.477 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -65.92 -14.84 62.27 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -177.931 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.65 -65.33 0.45 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.944 0.783 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -87.71 -30.89 20.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 119.741 -2.035 . . . . 0.0 112.953 -177.47 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.559 0 N-CA-C 117.501 1.76 . . . . 0.0 117.501 -176.985 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 119.412 -0.328 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -60.6 -45.84 92.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.012 -178.888 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p -64.28 -30.78 71.82 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.315 1.416 . . . . 0.0 111.54 176.913 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -44.71 81.38 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.436 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.1 -44.45 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 -176.947 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.06 -42.95 95.61 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.866 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.45 85.71 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 118.307 -1.274 . . . . 0.0 111.48 177.67 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -67.7 -39.08 84.4 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.202 1.501 . . . . 0.0 109.355 177.313 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.32 -47.92 83.71 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.815 -1.179 . . . . 0.0 107.815 178.066 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.7 m -59.07 -40.53 85.49 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.226 1.01 . . . . 0.0 109.821 176.809 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.21 -47.26 83.27 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 125.605 1.562 . . . . 0.0 111.198 178.916 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.94 -36.33 84.03 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.064 0.847 . . . . 0.0 109.358 177.689 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.15 -32.69 74.29 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.882 -1.761 . . . . 0.0 110.292 175.799 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.7 -43.76 71.77 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 119.348 -2.095 . . . . 0.0 108.63 175.985 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -58.44 -47.75 82.98 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 105.677 -1.971 . . . . 0.0 105.677 179.025 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.08 -47.51 80.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.342 179.076 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -55.6 -44.13 76.71 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.991 0.814 . . . . 0.0 109.737 177.04 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -66.72 -39.5 88.02 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 119.928 1.24 . . . . 0.0 107.985 -177.311 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -64.6 -43.68 93.0 Favored 'General case' 0 CA--C 1.566 1.567 0 O-C-N 120.691 -1.256 . . . . 0.0 109.383 177.608 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.78 -38.42 90.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.689 1.196 . . . . 0.0 110.738 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.72 87.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.914 1.286 . . . . 0.0 111.677 177.275 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.875 -1.141 . . . . 0.0 109.885 177.11 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.94 -54.24 20.19 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.097 0.959 . . . . 0.0 112.469 177.207 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -71.14 -5.78 34.28 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.329 1.852 . . . . 0.0 114.299 -177.819 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.81 -41.98 0.89 Allowed Glycine 0 C--N 1.347 1.142 0 C-N-CA 124.247 0.927 . . . . 0.0 114.358 176.07 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 m -120.92 -44.66 2.41 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.871 -1.37 . . . . 0.0 113.738 -178.233 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.133 0 N-CA-C 119.842 2.697 . . . . 0.0 119.842 179.493 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -58.99 -48.17 82.54 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.406 1.083 . . . . 0.0 113.157 179.707 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.2 p -63.79 -34.97 79.09 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.814 1.188 . . . . 0.0 110.798 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -43.91 82.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.867 0.758 . . . . 0.0 109.939 177.077 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.92 -44.84 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.064 1.345 . . . . 0.0 108.868 177.587 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 mt -57.16 -43.54 82.64 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 0.0 108.873 177.697 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.95 95.12 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 177.262 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.5 -42.12 96.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.049 0.94 . . . . 0.0 110.379 177.732 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.473 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -59.17 -39.34 82.2 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.747 1.158 . . . . 0.0 109.915 176.493 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -66.04 -48.82 69.82 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.511 1.525 . . . . 0.0 108.806 179.894 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.53 -47.26 84.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.602 1.092 . . . . 0.0 108.712 177.84 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.85 -41.72 87.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.623 1.169 . . . . 0.0 108.556 177.581 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.41 -37.29 84.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.229 0.922 . . . . 0.0 109.532 -179.259 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.84 -46.0 92.3 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.936 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.36 -45.45 88.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.023 0.929 . . . . 0.0 109.493 176.621 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -56.02 -45.62 79.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.56 1.073 . . . . 0.0 109.365 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -65.55 -44.01 88.11 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -176.807 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.81 -47.92 82.94 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.785 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.49 -51.86 67.74 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.284 1.434 . . . . 0.0 110.634 177.1 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.82 79.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.858 1.263 . . . . 0.0 112.798 177.482 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.4 m -67.67 -40.09 84.49 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 177.486 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -68.93 -46.68 67.64 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.17 -0.956 . . . . 0.0 112.508 178.967 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 p -69.72 -40.15 76.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.077 0.853 . . . . 0.0 112.304 177.927 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.89 -33.66 23.55 Favored Glycine 0 N--CA 1.48 1.58 0 N-CA-C 118.013 1.965 . . . . 0.0 118.013 -179.157 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -129.39 -20.41 3.32 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -177.832 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.557 0 O-C-N 120.133 -1.604 . . . . 0.0 116.408 178.902 . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 mt . . . . . 0 N--CA 1.468 0.467 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -57.66 -49.69 75.65 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.895 178.279 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p -63.79 -27.69 69.35 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.928 1.24 . . . . 0.0 111.161 177.182 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -42.11 80.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.977 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.32 -48.62 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.165 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.34 -44.2 75.71 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.606 0.763 . . . . 0.0 110.85 177.622 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.41 -45.76 92.6 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 123.919 0.771 . . . . 0.0 111.402 176.851 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -61.34 -45.63 93.6 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 123.479 0.712 . . . . 0.0 109.756 176.292 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.0 mt -56.68 -38.42 72.22 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.002 0.819 . . . . 0.0 109.683 178.753 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -65.62 -37.75 87.46 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.281 -0.887 . . . . 0.0 109.399 178.645 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.51 -44.83 77.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.999 -1.063 . . . . 0.0 110.424 176.244 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -60.07 -38.24 82.26 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.47 1.032 . . . . 0.0 110.341 176.371 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.4 -38.49 84.73 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.712 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.07 -38.68 91.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.084 0.856 . . . . 0.0 109.177 177.883 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.58 -42.83 97.48 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.846 -1.074 . . . . 0.0 108.104 176.563 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.62 -42.03 91.75 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 124.376 1.048 . . . . 0.0 109.21 177.366 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -62.21 -42.27 99.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.012 0.824 . . . . 0.0 109.38 178.428 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -66.09 -43.94 85.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.959 0.904 . . . . 0.0 110.267 177.595 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.7 -46.61 89.71 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.415 1.086 . . . . 0.0 109.824 177.395 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.54 -55.72 31.22 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.561 1.544 . . . . 0.0 110.323 177.841 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.01 73.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.221 1.009 . . . . 0.0 112.045 177.327 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 m -63.97 -46.43 84.65 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.53 -0.732 . . . . 0.0 109.997 177.456 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -62.85 -45.1 94.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.518 1.927 . . . . 0.0 113.814 -179.326 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 p -76.85 -34.66 57.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.861 1.265 . . . . 0.0 112.551 -178.568 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.32 -20.99 18.58 Favored Glycine 0 CA--C 1.547 2.063 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -176.011 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -136.38 -43.69 0.62 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -179.075 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.145 0 C-N-CA 125.104 1.335 . . . . 0.0 113.837 -177.235 . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -60.99 -46.73 89.58 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 117.134 -1.412 . . . . 0.0 111.464 177.284 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.0 -22.53 66.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.011 1.278 . . . . 0.0 110.742 177.045 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -37.94 64.5 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.762 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.47 -48.34 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.205 -1.559 . . . . 0.0 107.087 177.105 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.14 -48.06 79.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.246 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.78 -42.1 96.3 Favored Glycine 0 C--O 1.214 -1.148 0 O-C-N 121.313 -0.867 . . . . 0.0 112.166 179.421 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -58.14 -52.12 66.87 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 119.49 1.645 . . . . 0.0 108.242 173.483 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.46 -39.18 79.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -178.698 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -63.65 -38.6 91.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 119.89 -1.756 . . . . 0.0 108.809 -179.628 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.36 -48.54 67.17 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.581 177.376 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.02 -40.34 76.48 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.299 0.954 . . . . 0.0 109.845 177.773 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.1 mt -67.5 -41.48 84.43 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -178.777 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -65.86 -35.77 81.58 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.953 1.251 . . . . 0.0 111.194 177.031 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.59 -49.66 76.65 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 176.834 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.24 -38.48 80.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.676 177.351 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.71 -35.18 80.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.15 1.341 . . . . 0.0 110.078 178.061 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -72.35 -39.17 68.3 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.131 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -66.41 -37.13 84.53 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.872 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.48 -37.77 88.69 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 116.609 -1.662 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.22 78.79 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.503 1.047 . . . . 0.0 110.179 176.988 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 m -69.3 -46.02 68.16 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 177.312 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.9 -43.98 97.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.249 2.22 . . . . 0.0 113.465 179.987 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.6 p -83.91 -42.41 16.36 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.5 -24.57 56.19 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.43 -175.888 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -129.68 -44.45 1.21 Allowed 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.66 1.73 . . . . 0.0 111.81 179.703 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.864 0 CA-C-N 118.839 0.745 . . . . 0.0 113.667 -177.7 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 tp . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -58.4 -48.04 81.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.943 0.897 . . . . 0.0 112.044 179.32 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.9 p -65.79 -31.34 72.26 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 119.099 0.863 . . . . 0.0 111.525 177.457 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -41.77 81.67 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.533 1.061 . . . . 0.0 109.112 176.735 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.6 -41.28 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.385 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.7 -37.62 79.36 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.252 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.27 -44.11 98.51 Favored Glycine 0 CA--C 1.541 1.689 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 177.819 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -60.73 -47.19 87.42 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.512 1.156 . . . . 0.0 109.483 176.696 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.95 -48.02 82.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 110.679 177.593 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -59.12 -40.57 85.82 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.665 0.786 . . . . 0.0 110.876 176.988 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.68 -49.17 76.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.18 1.392 . . . . 0.0 110.243 177.368 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.24 -42.95 96.36 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.007 1.276 . . . . 0.0 110.071 178.787 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.62 -45.23 91.27 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.068 0.547 . . . . 0.0 110.336 177.43 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -60.09 -42.06 93.82 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.379 1.472 . . . . 0.0 111.925 177.319 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -57.33 -44.84 84.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.197 0.999 . . . . 0.0 109.466 177.401 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.83 -38.5 85.68 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.928 176.645 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.92 -42.96 99.13 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.347 1.43 . . . . 0.0 111.151 177.315 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -61.09 -46.34 91.01 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.788 0.722 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.91 -42.45 97.4 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.627 -0.671 . . . . 0.0 111.716 177.208 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.32 -52.22 66.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.449 1.5 . . . . 0.0 111.693 177.582 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.79 67.09 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.181 0.9 . . . . 0.0 111.248 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 m -61.09 -49.7 76.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.019 0.928 . . . . 0.0 110.484 177.205 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -60.92 -47.8 84.75 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 113.272 -178.888 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.1 p -75.85 -38.78 57.64 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -177.49 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.26 -21.7 26.69 Favored Glycine 0 N--CA 1.473 1.102 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 -177.397 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -129.44 -42.63 1.31 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.708 1.254 . . . . 0.0 113.39 -178.075 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.681 0 N-CA-C 116.051 1.18 . . . . 0.0 116.051 -178.086 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 118.989 -0.529 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -61.27 -49.13 78.31 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.986 0.812 . . . . 0.0 110.53 179.774 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -65.32 -25.89 67.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.522 1.055 . . . . 0.0 111.513 177.573 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -40.24 66.43 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.087 0.858 . . . . 0.0 109.549 176.231 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.31 -43.69 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.74 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.7 mt -57.88 -42.83 85.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.452 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -44.13 94.94 Favored Glycine 0 CA--C 1.542 1.734 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 176.84 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -61.68 -48.89 78.77 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.285 1.042 . . . . 0.0 108.21 178.163 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -57.03 -49.01 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.223 1.009 . . . . 0.0 111.228 177.59 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -59.35 -42.99 92.84 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.381 176.921 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.92 -48.98 74.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.376 1.47 . . . . 0.0 110.848 178.44 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.23 -40.48 94.18 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.524 1.056 . . . . 0.0 109.958 178.498 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.75 -38.04 85.82 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.563 -0.711 . . . . 0.0 109.581 176.695 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.55 -41.11 96.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.712 0.805 . . . . 0.0 109.047 177.658 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.83 -45.1 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.562 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.91 -38.28 81.87 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.083 177.006 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.46 -40.59 97.52 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.112 1.324 . . . . 0.0 108.959 177.329 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -64.48 -47.33 79.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.41 0.684 . . . . 0.0 109.64 177.201 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.32 -44.89 92.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.646 0.778 . . . . 0.0 110.929 177.221 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.94 -42.76 99.91 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 125.231 1.412 . . . . 0.0 111.918 178.398 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.0 80.51 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.212 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.2 m -62.84 -40.49 97.59 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.783 0.833 . . . . 0.0 110.789 176.968 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -61.83 -55.06 33.84 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.714 1.606 . . . . 0.0 112.586 178.022 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.3 p -75.96 -27.38 57.5 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.732 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.16 -19.29 33.8 Favored Glycine 0 CA--C 1.54 1.601 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -178.895 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -143.65 -52.73 0.35 Allowed 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.639 1.22 . . . . 0.0 113.945 -176.478 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 C-N-CA 126.196 1.855 . . . . 0.0 117.015 -177.879 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.2 tp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -59.82 -41.88 92.25 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.823 0.849 . . . . 0.0 113.004 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 p -68.01 -29.39 68.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.514 1.506 . . . . 0.0 110.268 177.174 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -41.7 79.85 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.247 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.892 178.868 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.12 -37.83 78.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.329 0.651 . . . . 0.0 110.524 176.644 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.33 -49.94 69.57 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 175.884 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -59.13 -49.76 76.65 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.686 0.743 . . . . 0.0 109.676 177.094 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -54.27 -50.59 66.9 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.538 1.135 . . . . 0.0 111.854 178.621 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -60.41 -39.01 85.86 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.872 1.215 . . . . 0.0 112.295 176.815 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.2 -49.25 72.77 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 177.097 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.16 -37.93 89.24 Favored 'General case' 0 C--N 1.342 0.272 0 O-C-N 121.405 -0.81 . . . . 0.0 111.967 177.853 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.53 -42.5 99.56 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.409 -1.432 . . . . 0.0 108.9 176.957 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -61.43 -37.3 83.0 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 125.032 1.333 . . . . 0.0 110.832 176.385 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.5 -48.32 64.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.16 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.6 mt -56.15 -44.16 79.0 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.999 1.272 . . . . 0.0 110.7 176.948 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.22 -40.88 91.71 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.85 0.86 . . . . 0.0 110.853 177.051 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.0 m -66.09 -42.09 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.972 0.509 . . . . 0.0 110.286 176.951 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -62.35 -44.18 97.09 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.884 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.09 -34.91 78.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.558 1.143 . . . . 0.0 111.887 177.033 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.99 92.71 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.819 1.191 . . . . 0.0 108.892 177.682 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.8 m -65.69 -37.52 86.69 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.482 -1.386 . . . . 0.0 108.822 179.774 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -70.65 -51.17 29.66 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.833 1.253 . . . . 0.0 111.98 178.798 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.6 p -70.14 -30.63 67.84 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.018 1.327 . . . . 0.0 113.552 -178.552 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.45 -26.66 10.67 Favored Glycine 0 CA--C 1.545 1.951 0 C-N-CA 123.66 0.648 . . . . 0.0 114.622 -178.174 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -127.81 -52.69 1.34 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -178.222 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.212 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 179.415 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.8 tp . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -58.13 -46.51 85.48 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.477 1.111 . . . . 0.0 111.753 177.356 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.0 p -67.16 -29.62 69.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.265 0.939 . . . . 0.0 110.959 177.145 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -42.56 77.31 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 119.385 0.993 . . . . 0.0 108.903 177.509 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.62 -51.88 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.524 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -54.29 -45.08 72.43 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.47 1.108 . . . . 0.0 110.207 177.079 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.52 -45.92 93.87 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.611 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.13 -47.22 80.8 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.098 0.949 . . . . 0.0 109.482 177.289 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.6 mt -56.61 -50.58 71.59 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.498 1.119 . . . . 0.0 110.362 178.47 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -56.27 -38.91 71.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.735 1.152 . . . . 0.0 110.75 178.501 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -47.71 70.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.73 0.695 . . . . 0.0 111.224 177.388 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.26 -38.84 91.59 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 119.149 0.886 . . . . 0.0 110.645 178.089 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.99 -38.55 91.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.376 1.071 . . . . 0.0 108.799 177.312 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -65.02 -42.29 94.51 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.269 -0.894 . . . . 0.0 108.612 176.787 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.28 -43.91 92.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.787 1.176 . . . . 0.0 109.111 177.074 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.47 -38.61 87.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.545 0.738 . . . . 0.0 110.03 177.18 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.35 -42.91 98.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.964 1.256 . . . . 0.0 107.635 178.261 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.5 m -65.84 -40.1 91.45 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.668 1.187 . . . . 0.0 110.655 177.16 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -64.15 -43.66 94.51 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.205 -0.934 . . . . 0.0 109.468 177.762 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.66 -44.38 96.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.844 0.858 . . . . 0.0 109.636 177.126 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.84 83.07 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.052 0.842 . . . . 0.0 110.174 176.858 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 m -58.0 -39.29 77.9 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.682 1.593 . . . . 0.0 109.256 177.677 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.06 -51.89 58.9 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.469 -0.77 . . . . 0.0 109.846 179.12 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.8 p -62.58 -24.25 67.45 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 178.307 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -29.13 8.74 Favored Glycine 0 N--CA 1.482 1.759 0 N-CA-C 117.098 1.599 . . . . 0.0 117.098 178.263 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -139.46 -50.3 0.5 Allowed 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.354 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.36 0 N-CA-C 117.462 1.745 . . . . 0.0 117.462 -177.615 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -60.42 -45.95 91.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.245 1.018 . . . . 0.0 111.467 177.299 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -67.19 -29.39 69.06 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.39 0.996 . . . . 0.0 111.368 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -42.14 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.417 1.008 . . . . 0.0 108.716 175.586 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.16 -45.45 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.001 1.32 . . . . 0.0 108.489 178.273 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.84 -32.0 70.26 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.018 0.927 . . . . 0.0 110.189 177.289 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.02 -50.84 37.72 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.604 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.87 -48.38 75.66 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.166 0.986 . . . . 0.0 109.308 177.221 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.54 -48.31 82.14 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.925 1.29 . . . . 0.0 111.667 177.138 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -58.29 -37.5 75.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.574 0.749 . . . . 0.0 110.688 177.865 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -48.2 77.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.856 178.129 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.24 -44.04 97.45 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.683 0.674 . . . . 0.0 109.819 177.209 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.74 -36.81 82.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.592 1.157 . . . . 0.0 111.364 177.464 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.87 -49.91 64.16 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.409 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -54.75 -46.2 74.28 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.852 0.751 . . . . 0.0 109.434 177.55 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.44 -47.03 87.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.834 1.253 . . . . 0.0 110.859 177.836 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -60.58 -38.04 83.31 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.543 1.065 . . . . 0.0 111.154 176.749 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -66.19 -44.22 84.6 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.668 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.31 -43.5 96.3 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.372 -0.83 . . . . 0.0 109.642 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.74 -43.47 97.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.133 1.373 . . . . 0.0 110.967 178.358 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.94 83.97 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.617 0.767 . . . . 0.0 110.41 175.793 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.9 m -62.71 -39.55 94.37 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.435 0.694 . . . . 0.0 110.66 177.25 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.443 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 10.4 t-20 -69.21 -50.31 48.53 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.121 -1.612 . . . . 0.0 112.966 179.051 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -62.23 -18.23 60.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.569 1.147 . . . . 0.0 113.17 -178.349 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.43 -53.12 0.61 Allowed Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.812 1.196 . . . . 0.0 113.98 178.037 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 m -107.34 -32.24 7.85 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -176.934 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . . . . . . 0 C--N 1.346 1.085 0 CA-C-O 117.761 -1.577 . . . . 0.0 115.357 -176.567 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -60.74 -50.48 73.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.3 1.04 . . . . 0.0 111.21 179.097 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.0 p -64.38 -29.56 70.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.549 1.068 . . . . 0.0 112.085 177.306 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -46.09 68.19 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.675 1.125 . . . . 0.0 109.312 177.428 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.47 -49.51 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 O-C-N 121.245 -0.91 . . . . 0.0 109.832 177.59 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.14 -40.97 82.7 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.606 0.762 . . . . 0.0 110.469 176.91 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -43.32 95.33 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.691 1.138 . . . . 0.0 111.301 176.186 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -64.44 -51.31 63.74 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 176.989 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.43 -38.79 74.95 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.573 1.149 . . . . 0.0 112.479 179.407 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -63.16 -38.67 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.053 1.297 . . . . 0.0 108.513 177.755 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.58 -39.83 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.776 1.231 . . . . 0.0 109.437 176.895 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.35 -41.62 98.87 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.588 1.54 . . . . 0.0 108.787 177.133 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.73 -35.5 81.28 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.093 1.757 . . . . 0.0 108.907 177.344 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.16 -48.39 70.91 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 177.223 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.43 -45.27 80.84 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.944 1.298 . . . . 0.0 108.568 178.532 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.01 -45.04 96.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.129 0.972 . . . . 0.0 110.071 177.423 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -57.57 -43.77 84.78 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.718 1.145 . . . . 0.0 110.413 175.86 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -64.96 -44.24 90.06 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.101 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.98 93.75 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.567 1.076 . . . . 0.0 111.143 176.885 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.32 -46.38 90.08 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.16 0.984 . . . . 0.0 109.951 177.201 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.65 68.7 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.29 1.036 . . . . 0.0 110.909 178.346 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.8 m -62.3 -37.0 83.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.747 -0.595 . . . . 0.0 110.523 177.643 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -65.72 -51.29 60.49 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.073 -1.017 . . . . 0.0 111.93 177.828 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 p -61.83 -7.1 3.22 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.591 1.557 . . . . 0.0 115.024 178.188 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.92 -39.25 0.61 Allowed Glycine 0 CA--C 1.548 2.113 0 C-N-CA 124.894 1.235 . . . . 0.0 113.885 179.79 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -130.12 -11.81 4.16 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -177.33 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.38 0 CA-C-N 120.351 1.432 . . . . 0.0 114.289 -177.268 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -57.88 -52.98 63.23 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.353 1.461 . . . . 0.0 111.507 178.225 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -63.49 -27.57 69.37 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 121.183 -0.948 . . . . 0.0 111.219 178.584 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.68 73.82 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 119.003 0.82 . . . . 0.0 109.018 176.478 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.2 -51.15 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 119.777 1.172 . . . . 0.0 108.679 177.058 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.94 -39.07 77.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.44 0.696 . . . . 0.0 111.395 177.59 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.27 96.54 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.383 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.47 -44.7 90.22 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.05 177.379 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.96 -48.0 73.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.612 1.096 . . . . 0.0 109.956 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -59.68 -42.15 92.29 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.699 0.8 . . . . 0.0 110.085 179.132 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -69.27 -41.61 76.65 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.657 0.783 . . . . 0.0 111.552 179.234 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.75 -40.91 96.09 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.728 1.149 . . . . 0.0 108.29 176.603 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.29 -36.78 84.82 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 176.684 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.42 -43.48 94.22 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.297 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.3 -36.46 80.15 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.984 177.188 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -66.75 -37.0 83.75 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.036 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.25 -35.08 79.94 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.736 1.153 . . . . 0.0 109.194 176.965 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -66.71 -39.43 88.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.681 1.128 . . . . 0.0 109.577 175.639 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -68.36 -40.14 81.57 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 121.101 -0.999 . . . . 0.0 110.783 176.3 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.18 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.443 1.497 . . . . 0.0 110.089 175.98 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.02 81.31 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 120.068 -1.645 . . . . 0.0 107.995 178.689 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.5 m -58.68 -44.92 90.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.901 0.48 . . . . 0.0 110.407 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 6.0 t-20 -70.56 -41.79 71.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.111 -0.993 . . . . 0.0 113.254 -178.705 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -67.6 -30.67 70.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.054 0.942 . . . . 0.0 112.748 177.437 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.05 -49.88 3.41 Favored Glycine 0 CA--C 1.535 1.295 0 N-CA-C 115.661 1.025 . . . . 0.0 115.661 177.806 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -120.25 -6.45 9.88 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -177.298 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . . . . . . 0 N--CA 1.468 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 114.922 -178.141 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -58.04 -43.62 86.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 112.65 177.47 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -66.05 -32.47 73.95 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 120.532 1.515 . . . . 0.0 110.829 177.382 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -40.81 89.12 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.652 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.3 -45.0 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.905 0.882 . . . . 0.0 109.342 176.912 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.04 -36.58 70.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.635 1.107 . . . . 0.0 110.338 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.21 -49.26 62.63 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 176.181 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -58.58 -47.74 83.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.312 1.045 . . . . 0.0 109.949 177.137 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.11 -41.37 88.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.665 0.786 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.42 -41.1 98.7 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.429 0.692 . . . . 0.0 110.961 177.301 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -61.66 -51.06 70.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.106 0.962 . . . . 0.0 109.785 177.203 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.75 -41.26 97.43 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.805 -0.56 . . . . 0.0 111.408 177.164 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.65 -32.17 72.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 177.238 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -71.07 -42.55 69.25 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 176.472 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -61.88 -43.5 98.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.845 0.858 . . . . 0.0 109.312 176.966 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.78 -46.26 87.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.047 0.939 . . . . 0.0 109.81 177.044 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.55 -31.27 72.38 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.619 177.471 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -68.93 -45.1 71.69 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.817 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -59.99 -42.28 93.86 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.099 0.96 . . . . 0.0 110.455 176.682 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.422 1.089 . . . . 0.0 110.458 177.473 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.31 86.13 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.384 -0.823 . . . . 0.0 110.64 177.131 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.4 m -59.29 -48.79 80.3 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.43 -0.794 . . . . 0.0 111.816 177.075 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.38 -41.22 89.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.842 0.747 . . . . 0.0 112.683 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 p -70.78 -33.18 70.49 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.297 -0.877 . . . . 0.0 113.327 177.808 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.37 -25.82 22.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.538 1.066 . . . . 0.0 115.345 -179.036 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -152.25 24.02 0.63 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.084 1.942 . . . . 0.0 114.655 -178.844 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.544 0 C-N-CA 124.446 1.022 . . . . 0.0 112.982 178.206 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.9 tp . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -58.35 -51.61 69.06 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.732 1.213 . . . . 0.0 110.049 178.562 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -67.61 -27.09 66.6 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 119.229 0.922 . . . . 0.0 110.856 179.695 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.36 -43.96 54.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.048 . . . . 0.0 109.336 177.729 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.33 -48.03 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.809 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.26 -34.06 73.2 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.08 1.309 . . . . 0.0 108.164 177.377 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.28 -44.68 90.25 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 178.808 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.44 -47.56 85.57 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.612 1.706 . . . . 0.0 106.57 176.992 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.0 -37.02 78.46 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.448 1.022 . . . . 0.0 110.886 177.213 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.95 93.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.332 1.053 . . . . 0.0 110.081 176.724 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.89 -43.41 79.39 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.474 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.21 -37.15 86.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.648 -1.282 . . . . 0.0 108.385 179.241 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.433 -1.31 0 O-C-N 120.121 -1.612 . . . . 0.0 107.771 178.579 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -63.3 -45.93 89.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.33 1.452 . . . . 0.0 108.634 177.803 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.79 -47.37 85.95 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.678 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.59 -38.13 86.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 110.166 179.445 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.83 -36.06 81.49 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.368 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -66.97 -45.86 76.39 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 176.158 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.73 -33.13 68.13 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.819 175.244 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.86 -42.23 81.66 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.142 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.93 96.66 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.703 -1.248 . . . . 0.0 108.454 178.408 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.9 m -68.24 -55.81 10.9 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 122.065 -0.397 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.1 -38.9 58.84 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 177.186 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.89 -27.8 66.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.835 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.01 -22.29 12.27 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.499 1.045 . . . . 0.0 113.623 177.301 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.5 m -157.33 91.7 1.19 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 128.349 2.66 . . . . 0.0 108.941 -178.127 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.755 0 C-N-CA 124.09 0.853 . . . . 0.0 112.051 -177.537 . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -56.8 -47.11 80.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.383 1.073 . . . . 0.0 113.368 179.939 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -65.6 -33.92 77.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.122 1.328 . . . . 0.0 110.792 177.446 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -38.31 80.5 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.159 0.436 . . . . 0.0 109.881 176.408 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.01 1.724 . . . . 0.0 108.914 176.92 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.69 -47.6 79.52 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.43 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.76 97.72 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 179.123 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.59 -46.92 71.23 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 115.275 -2.297 . . . . 0.0 109.508 177.287 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.59 -40.93 84.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 120.236 1.38 . . . . 0.0 111.348 177.791 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 117.033 -1.461 . . . . 0.0 109.685 176.377 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.62 -43.14 90.45 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.741 175.797 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.24 -40.28 95.63 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 119.1 0.864 . . . . 0.0 108.986 177.943 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -34.81 77.29 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.434 -1.416 . . . . 0.0 109.646 177.321 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -42.86 99.76 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.387 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -58.1 -48.85 78.92 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.818 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.65 -42.51 88.53 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.396 -179.739 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.77 -45.2 94.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 120.088 1.313 . . . . 0.0 109.775 176.571 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -62.44 -39.69 94.17 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.827 -1.171 . . . . 0.0 110.071 178.063 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.07 -48.21 74.55 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.04 177.995 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.94 -41.54 99.52 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 119.754 1.161 . . . . 0.0 111.309 178.207 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -32.55 72.91 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -76.4 -55.09 5.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.1 1.36 . . . . 0.0 109.576 178.175 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -55.35 -39.9 70.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.92 1.688 . . . . 0.0 113.125 -177.721 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.9 p -62.56 -17.61 60.33 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 176.88 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.88 -29.16 4.46 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 125.643 1.592 . . . . 0.0 111.529 176.847 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -160.65 100.38 1.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.261 1.424 . . . . 0.0 109.678 -179.757 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.639 0 C-N-CA 128.057 2.742 . . . . 0.0 107.778 -177.545 . . . . . . . . 0 0 . 1 . 073 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 118.653 -0.689 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -61.05 -48.43 81.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.702 1.137 . . . . 0.0 112.318 177.29 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -67.45 -27.66 67.23 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 119.789 1.177 . . . . 0.0 110.989 177.55 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.466 -0.771 . . . . 0.0 109.946 178.347 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.71 -49.06 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.166 1.386 . . . . 0.0 108.878 176.809 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.49 -41.98 95.39 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.518 1.054 . . . . 0.0 109.572 177.222 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.91 -45.22 96.23 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.013 0.816 . . . . 0.0 111.591 177.223 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.66 -47.11 76.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.607 1.204 . . . . 0.0 109.155 177.077 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.91 -54.69 39.37 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.479 1.512 . . . . 0.0 110.683 177.365 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.9 m -60.54 -35.69 76.62 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.691 0.678 . . . . 0.0 111.035 179.811 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -51.53 61.5 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.424 1.011 . . . . 0.0 109.939 177.146 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -64.64 -33.34 75.71 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.096 0.862 . . . . 0.0 111.521 177.485 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.69 -35.35 75.01 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.739 1.154 . . . . 0.0 108.501 177.225 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -67.64 -34.26 76.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.947 1.248 . . . . 0.0 107.713 176.384 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -70.58 -39.45 73.87 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.571 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.52 -41.2 98.71 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.784 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.86 -37.0 85.12 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.204 0.911 . . . . 0.0 108.73 177.168 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -68.29 -42.47 79.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.511 1.124 . . . . 0.0 108.709 177.345 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -63.37 -36.9 85.25 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.697 1.135 . . . . 0.0 108.736 177.318 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.57 -45.36 79.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.603 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.65 79.52 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.303 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.653 1.181 . . . . 0.0 108.89 178.162 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -60.96 -34.9 75.46 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.876 0.762 . . . . 0.0 111.898 177.654 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -69.14 -15.14 63.35 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.332 0.969 . . . . 0.0 111.992 177.558 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.13 -44.79 1.44 Allowed Glycine 0 C--N 1.346 1.116 0 C-N-CA 126.098 1.808 . . . . 0.0 109.393 -177.602 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -147.09 83.84 1.58 Allowed 'General case' 0 CA--C 1.538 0.514 0 O-C-N 119.967 -1.902 . . . . 0.0 110.28 179.776 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 C-N-CA 125.916 1.722 . . . . 0.0 110.48 178.884 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -57.65 -50.1 74.29 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.052 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.1 p -65.83 -35.37 80.48 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 120.057 1.298 . . . . 0.0 111.257 178.749 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -42.51 73.77 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.265 -0.897 . . . . 0.0 111.585 177.33 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.15 -42.02 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.543 1.065 . . . . 0.0 109.313 176.731 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.56 -42.05 95.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.171 1.351 . . . . 0.0 108.03 177.785 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.28 99.52 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.211 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -64.79 -41.42 95.84 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.662 -1.161 . . . . 0.0 109.415 176.966 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.57 -45.21 95.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.643 1.11 . . . . 0.0 108.24 176.761 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 m -59.62 -37.92 79.94 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.051 0.841 . . . . 0.0 110.58 176.801 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.91 -47.97 78.45 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.758 1.223 . . . . 0.0 109.664 176.654 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.33 -33.29 74.94 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.641 1.109 . . . . 0.0 109.294 178.681 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.83 -37.84 82.44 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.241 1.837 . . . . 0.0 108.501 176.576 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -65.55 -37.14 85.85 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.995 1.318 . . . . 0.0 107.779 176.813 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.27 -41.12 90.35 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.188 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.245 1.384 . . . . 0.0 107.667 179.968 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.57 -35.52 81.07 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.979 -1.076 . . . . 0.0 110.07 176.575 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -64.81 -44.38 90.07 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 108.468 176.286 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.596 -1.315 . . . . 0.0 109.245 178.357 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.35 -43.52 96.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.902 1.281 . . . . 0.0 110.758 177.22 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.1 75.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.794 0.838 . . . . 0.0 109.862 177.322 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.3 m -60.7 -48.4 81.96 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.115 -0.991 . . . . 0.0 109.812 179.087 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.696 1.199 . . . . 0.0 111.572 -179.037 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -65.02 -17.58 64.56 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 176.729 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.75 -30.86 6.59 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.382 1.468 . . . . 0.0 112.239 176.566 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.3 m -162.94 98.37 0.95 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.826 2.45 . . . . 0.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.889 0 C-N-CA 125.688 1.613 . . . . 0.0 110.454 -177.491 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.9 tp . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -52.2 -52.41 52.35 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.483 1.513 . . . . 0.0 112.913 -179.279 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.8 p -65.99 -33.39 75.7 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.661 0.664 . . . . 0.0 111.71 177.806 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.92 74.28 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.041 0.837 . . . . 0.0 110.944 177.225 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.22 -48.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.131 1.332 . . . . 0.0 108.738 177.353 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 mt -54.87 -46.21 74.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.063 0.847 . . . . 0.0 109.391 177.296 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.76 98.32 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 177.725 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.69 -44.97 95.92 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.166 1.483 . . . . 0.0 109.54 177.118 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.22 -48.98 78.68 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.365 0.984 . . . . 0.0 109.359 177.155 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -39.68 89.81 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.995 177.608 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.38 -46.77 78.79 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.121 0.969 . . . . 0.0 111.04 177.115 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.41 -38.64 90.54 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.914 1.234 . . . . 0.0 109.764 177.1 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -63.54 -30.58 71.68 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.971 -1.08 . . . . 0.0 110.926 175.587 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.84 -48.28 63.9 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.857 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -58.38 -42.49 87.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.36 1.064 . . . . 0.0 109.469 177.086 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.12 -42.31 98.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.676 -0.678 . . . . 0.0 109.369 177.052 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.39 -39.72 94.15 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.039 0.836 . . . . 0.0 109.021 176.879 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -65.86 -45.42 82.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.182 0.901 . . . . 0.0 109.944 177.947 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -60.18 -45.05 94.44 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.807 0.843 . . . . 0.0 109.656 177.249 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.97 -45.12 95.02 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.415 1.086 . . . . 0.0 110.433 178.061 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.57 68.87 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.526 1.131 . . . . 0.0 111.347 177.765 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -76.66 -47.8 20.99 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 176.317 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.09 -39.64 79.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.518 1.527 . . . . 0.0 113.2 179.287 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -65.81 -21.0 66.46 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.522 1.129 . . . . 0.0 112.9 177.444 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.19 -26.55 6.93 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.837 1.208 . . . . 0.0 113.131 177.241 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -158.9 89.83 0.96 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.791 2.036 . . . . 0.0 110.818 178.043 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.305 0 CA-C-O 119.134 -0.815 . . . . 0.0 111.606 -178.972 . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.5 -47.44 81.69 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.087 0.555 . . . . 0.0 111.881 178.243 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -62.44 -30.49 71.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.128 0.876 . . . . 0.0 110.466 176.724 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -45.56 77.74 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.62 0.768 . . . . 0.0 108.971 177.311 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.15 -51.6 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.726 1.21 . . . . 0.0 109.994 177.272 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.62 -48.83 71.76 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.773 0.715 . . . . 0.0 110.736 177.182 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.23 90.8 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.078 0.847 . . . . 0.0 111.735 177.505 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.4 -48.39 81.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.328 1.064 . . . . 0.0 110.721 176.903 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.9 mt -54.97 -46.77 75.09 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.572 1.078 . . . . 0.0 111.261 177.071 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m -64.86 -41.02 96.02 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.893 177.767 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -45.6 92.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.722 0.809 . . . . 0.0 111.998 177.057 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.94 -41.66 92.33 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.358 0.981 . . . . 0.0 109.481 177.523 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.5 mt -63.96 -36.39 83.79 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 121.213 -0.93 . . . . 0.0 110.825 176.626 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.81 -41.72 97.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.945 1.298 . . . . 0.0 110.46 176.601 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.99 -49.42 76.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.999 0.92 . . . . 0.0 108.792 176.743 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.1 mt -54.99 -45.39 75.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.329 1.052 . . . . 0.0 111.169 177.581 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -63.74 -37.51 87.63 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.117 0.871 . . . . 0.0 110.965 177.222 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -66.21 -42.67 88.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 110.363 177.385 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -62.46 -47.35 84.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.081 0.952 . . . . 0.0 108.942 177.487 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.75 -55.03 39.41 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.403 1.481 . . . . 0.0 110.813 177.659 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.23 -52.92 18.91 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.737 1.215 . . . . 0.0 110.422 177.497 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 m -58.98 -52.84 64.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.149 0.98 . . . . 0.0 111.674 178.192 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.42 -30.62 65.11 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 113.528 -177.545 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -58.75 -38.08 77.66 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.679 1.127 . . . . 0.0 112.735 179.371 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.68 -24.1 6.55 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.197 0.903 . . . . 0.0 114.499 -179.863 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -136.95 65.35 1.51 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.36 1.464 . . . . 0.0 110.399 -178.106 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 CA-C-O 119.087 -0.841 . . . . 0.0 113.777 -179.011 . . . . . . . . 0 0 . 1 . 077 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 . . . . . . . . . 0 0 . 1 . 077 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -58.46 -46.68 86.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 112.803 -178.999 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -67.48 -30.79 70.58 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.174 0.897 . . . . 0.0 110.934 176.933 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.24 -44.68 78.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.646 0.779 . . . . 0.0 110.296 176.617 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.17 -48.98 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.144 0.883 . . . . 0.0 108.741 177.468 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -54.07 -55.93 22.82 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.364 1.066 . . . . 0.0 110.532 177.169 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.93 92.26 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 123.548 0.594 . . . . 0.0 113.874 178.235 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.19 -51.14 65.22 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.873 0.869 . . . . 0.0 109.274 177.715 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.65 -36.34 78.45 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.512 0.725 . . . . 0.0 111.513 177.871 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -62.92 -37.81 88.46 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.813 1.188 . . . . 0.0 110.51 176.308 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -36.68 75.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.912 0.885 . . . . 0.0 109.883 176.831 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.26 -39.49 89.5 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.765 -1.21 . . . . 0.0 108.218 176.838 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.0 -30.78 71.39 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.113 -0.992 . . . . 0.0 109.191 176.725 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -67.11 -45.39 77.36 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 177.712 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -58.41 -44.07 88.88 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.023 0.828 . . . . 0.0 109.07 176.704 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.22 -37.52 83.33 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 117.263 -1.351 . . . . 0.0 110.119 177.047 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.93 -39.0 92.83 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 120.413 1.461 . . . . 0.0 108.363 176.795 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -63.9 -42.5 97.42 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.945 0.793 . . . . 0.0 109.559 176.763 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -64.64 -40.89 96.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.563 0.745 . . . . 0.0 110.412 177.331 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.66 -46.36 85.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.748 1.219 . . . . 0.0 111.007 177.257 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.06 71.64 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.246 177.571 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -73.44 -54.38 8.41 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 108.941 177.328 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -57.37 -32.41 66.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.219 1.808 . . . . 0.0 114.996 -177.363 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -63.21 -27.7 69.54 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.492 0.587 . . . . 0.0 112.469 177.541 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.37 -66.52 0.7 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.04 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.3 m -90.94 76.28 6.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.374 2.269 . . . . 0.0 109.495 177.452 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 116.212 1.245 . . . . 0.0 116.212 177.447 . . . . . . . . 0 0 . 1 . 078 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 078 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -59.56 -45.33 92.15 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 113.57 178.884 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.1 p -67.96 -34.99 77.63 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.471 1.032 . . . . 0.0 109.793 179.38 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -42.57 88.8 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.657 0.662 . . . . 0.0 110.09 177.192 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 t -64.13 -50.75 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.015 0.926 . . . . 0.0 109.581 177.414 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.57 -48.81 68.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 110.32 177.383 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.09 -51.65 57.05 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.241 0.925 . . . . 0.0 112.518 177.246 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -57.84 -42.93 85.43 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.872 1.336 . . . . 0.0 110.295 178.014 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.45 -45.81 90.55 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.967 0.803 . . . . 0.0 110.573 177.255 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.8 m -65.21 -33.72 76.67 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 116.582 -1.675 . . . . 0.0 110.833 176.977 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.72 -46.8 74.34 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.858 1.208 . . . . 0.0 109.382 177.422 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.83 -37.92 87.5 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.816 -1.177 . . . . 0.0 108.889 178.846 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 mt -63.57 -33.64 76.04 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.026 -1.671 . . . . 0.0 108.592 177.045 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -65.84 -36.73 84.29 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.01 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -66.28 -42.45 88.41 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.746 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.43 -40.57 97.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.266 0.939 . . . . 0.0 110.242 177.26 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.75 -38.27 90.49 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.397 0.999 . . . . 0.0 108.866 176.763 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 m -64.95 -46.52 81.22 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.336 1.055 . . . . 0.0 108.318 177.114 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.39 -37.42 87.21 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.468 -1.395 . . . . 0.0 107.924 179.532 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -60.87 -38.7 86.47 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.176 0.898 . . . . 0.0 110.083 178.947 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.37 -8.04 29.64 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.699 1.199 . . . . 0.0 113.75 176.387 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -104.6 -36.66 7.41 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 127.582 2.353 . . . . 0.0 106.72 177.387 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -63.67 -25.18 68.09 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 125.088 1.355 . . . . 0.0 109.625 -177.893 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -67.42 -0.21 3.49 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.49 1.916 . . . . 0.0 112.704 177.464 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.77 -78.44 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 128.552 2.977 . . . . 0.0 106.303 177.79 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -94.99 84.72 4.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.411 1.485 . . . . 0.0 109.224 178.444 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.263 0 O-C-N 121.553 -0.717 . . . . 0.0 114.399 179.244 . . . . . . . . 0 0 . 1 . 079 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 CA--C 1.545 0.76 0 CA-C-O 118.99 -0.528 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 079 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -58.59 -46.45 86.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 0.0 112.376 178.377 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.0 p -65.21 -24.69 67.43 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.531 1.06 . . . . 0.0 111.856 178.119 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -43.12 78.69 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.527 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.86 -58.41 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.009 1.323 . . . . 0.0 112.178 177.219 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.66 -40.28 78.98 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.114 1.766 . . . . 0.0 110.217 179.995 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.63 -43.33 76.84 Favored Glycine 0 CA--C 1.543 1.801 0 CA-C-O 117.433 -1.76 . . . . 0.0 108.816 179.513 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -63.41 -40.65 97.77 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.343 2.072 . . . . 0.0 109.862 177.008 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.34 -41.62 93.98 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.806 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -68.91 -37.26 78.84 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -176.816 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -44.36 89.49 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 120.988 1.722 . . . . 0.0 108.056 177.323 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -61.89 -39.12 90.85 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.355 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.41 -35.77 82.0 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.072 -1.642 . . . . 0.0 107.611 -179.373 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.86 -44.12 90.74 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.283 1.033 . . . . 0.0 108.638 176.061 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -61.87 -37.83 86.03 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.967 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.95 -37.01 85.37 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.921 178.27 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.95 -43.57 92.26 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.218 0.917 . . . . 0.0 108.62 177.404 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -64.58 -43.03 95.16 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.48 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -62.36 -40.6 96.97 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.057 -1.027 . . . . 0.0 108.958 177.165 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.96 -39.82 94.06 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.721 -1.237 . . . . 0.0 110.413 177.99 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.73 68.02 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 118.657 0.662 . . . . 0.0 111.122 177.251 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.9 m -86.37 -38.21 17.65 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.91 1.684 . . . . 0.0 110.337 174.797 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.65 -30.89 67.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.016 1.727 . . . . 0.0 113.137 -178.224 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -63.71 3.33 0.37 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.897 2.079 . . . . 0.0 112.98 177.826 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.54 -76.84 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 C-N-CA 130.116 3.722 . . . . 0.0 107.353 -178.507 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -89.37 77.52 7.35 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 126.557 1.943 . . . . 0.0 110.769 178.336 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.663 0 O-C-N 119.51 -1.994 . . . . 0.0 112.299 177.249 . . . . . . . . 0 0 . 1 . 080 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 . . . . . . . . . 0 0 . 1 . 080 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -58.41 -56.19 25.29 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.439 1.096 . . . . 0.0 113.053 -177.529 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.51 -34.52 78.1 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.545 0.611 . . . . 0.0 111.522 177.815 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 t -65.51 -45.0 85.24 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.288 0.949 . . . . 0.0 110.818 177.919 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.15 -48.99 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.75 177.129 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.97 -33.74 72.36 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.118 0.872 . . . . 0.0 110.916 177.202 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -44.28 57.44 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 177.684 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.11 -44.08 89.91 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.238 1.019 . . . . 0.0 109.09 177.842 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.62 -46.21 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.971 0.908 . . . . 0.0 109.718 176.714 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -60.36 -39.31 86.72 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.847 0.859 . . . . 0.0 111.549 175.528 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -49.87 73.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.349 1.06 . . . . 0.0 110.203 177.165 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.18 -38.49 91.39 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.293 -0.879 . . . . 0.0 109.79 178.201 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.1 -34.99 79.31 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 119.168 0.894 . . . . 0.0 109.038 177.083 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.63 -37.93 85.87 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 109.461 176.403 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.33 -44.92 86.24 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.486 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.25 -39.53 90.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.733 1.151 . . . . 0.0 111.142 176.134 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.86 -40.86 98.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.133 1.373 . . . . 0.0 109.844 177.914 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -72.22 -42.28 65.91 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.52 1.128 . . . . 0.0 109.646 177.179 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -58.75 -41.19 85.95 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.115 1.366 . . . . 0.0 109.114 177.109 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 tp -59.93 -51.66 68.76 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.177 1.391 . . . . 0.0 110.044 177.938 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.88 39.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.582 0.753 . . . . 0.0 109.951 178.107 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -61.17 -44.51 97.2 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.316 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.6 -35.85 66.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.406 1.483 . . . . 0.0 114.716 178.408 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.6 p -62.27 -10.34 10.63 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 177.688 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.0 -56.13 0.15 Allowed Glycine 0 N--CA 1.474 1.209 0 C-N-CA 126.723 2.106 . . . . 0.0 113.079 177.37 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -113.46 76.07 0.96 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.983 2.113 . . . . 0.0 110.85 176.65 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 C-N-CA 125.77 1.652 . . . . 0.0 109.927 177.395 . . . . . . . . 0 0 . 1 . 081 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 . . . . . . . . . 0 0 . 1 . 081 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -54.71 -52.47 62.35 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.286 1.034 . . . . 0.0 112.942 -177.824 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 p -69.65 -30.75 68.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.725 178.86 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -65.02 -42.14 94.67 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 120.417 1.462 . . . . 0.0 108.769 -179.049 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.8 -47.78 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.668 177.27 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.72 -43.98 77.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.301 0.955 . . . . 0.0 111.195 177.028 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.81 85.15 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 126.395 1.95 . . . . 0.0 110.613 178.201 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.84 -49.77 74.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.732 1.266 . . . . 0.0 110.085 177.295 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.14 -44.91 83.83 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.222 0.919 . . . . 0.0 110.524 177.011 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -60.71 -39.13 87.4 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.907 0.883 . . . . 0.0 111.115 177.3 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.43 -49.38 69.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.816 0.847 . . . . 0.0 110.287 177.32 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.8 -45.85 91.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.815 -1.178 . . . . 0.0 109.722 177.6 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -60.26 -43.08 96.46 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.529 1.132 . . . . 0.0 109.159 177.054 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.29 -39.08 93.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.842 -1.161 . . . . 0.0 110.1 179.259 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -58.91 -48.1 82.65 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 119.888 -1.757 . . . . 0.0 108.515 177.327 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.44 -45.78 84.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.899 1.28 . . . . 0.0 108.156 177.308 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 124.563 1.145 . . . . 0.0 108.408 -179.117 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -65.36 -48.55 72.58 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.551 1.069 . . . . 0.0 110.718 178.247 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -58.17 -49.39 77.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.54 0.736 . . . . 0.0 111.302 177.404 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.32 -51.23 70.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.118 1.767 . . . . 0.0 111.814 179.055 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.26 77.93 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.169 0.988 . . . . 0.0 110.719 177.564 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -67.1 -46.04 75.43 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.225 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -57.31 -38.55 74.2 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.289 1.836 . . . . 0.0 112.889 -178.925 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -11.34 19.9 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.062 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.05 -56.45 0.33 Allowed Glycine 0 CA--C 1.555 2.553 0 C-N-CA 127.267 2.365 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -128.73 85.19 2.3 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.827 2.051 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.697 0 N-CA-C 107.643 -2.183 . . . . 0.0 107.643 176.943 . . . . . . . . 0 0 . 1 . 082 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 082 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -52.92 -55.05 26.18 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.501 1.52 . . . . 0.0 112.903 -177.997 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.8 p -66.65 -38.19 86.35 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.203 -0.903 . . . . 0.0 112.0 177.698 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.29 -43.46 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.644 1.111 . . . . 0.0 113.201 -179.61 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.44 -52.98 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.137 0.881 . . . . 0.0 110.267 177.344 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.5 -44.85 93.0 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.729 0.412 . . . . 0.0 111.191 177.553 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.64 -44.81 93.84 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 124.339 0.971 . . . . 0.0 112.1 177.319 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -64.84 -40.86 95.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.177 0.989 . . . . 0.0 110.087 177.345 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.83 -41.97 98.46 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.551 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 m -62.89 -40.8 98.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.754 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.33 -47.58 85.42 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.798 1.239 . . . . 0.0 110.837 177.329 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.068 0.849 . . . . 0.0 110.009 177.472 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.88 -37.88 88.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.359 0.664 . . . . 0.0 109.666 177.702 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -62.34 -40.98 98.13 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.189 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.94 -46.53 84.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.464 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.54 -43.38 97.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.015 0.926 . . . . 0.0 109.89 178.248 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.16 -48.25 82.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.397 1.079 . . . . 0.0 109.861 177.121 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.3 m -62.99 -41.85 99.68 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.432 -0.792 . . . . 0.0 109.658 177.993 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.62 -48.74 80.43 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.393 -1.442 . . . . 0.0 107.995 -179.631 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.56 -49.59 76.92 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.32 0.964 . . . . 0.0 110.7 178.052 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -10.93 6.47 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.63 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -109.54 -36.95 5.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.64 1.576 . . . . 0.0 109.545 179.568 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.65 -31.63 66.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.47 1.508 . . . . 0.0 114.215 -176.842 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -61.58 -17.82 56.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.977 1.311 . . . . 0.0 113.13 178.516 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.2 -60.5 0.21 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 126.656 2.074 . . . . 0.0 112.075 177.124 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.3 m -111.21 73.83 0.84 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.275 1.83 . . . . 0.0 111.233 -179.177 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.389 0 C-N-CA 126.215 1.864 . . . . 0.0 111.617 177.373 . . . . . . . . 0 0 . 1 . 083 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 . . . . . . . . . 0 0 . 1 . 083 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -54.36 -34.71 61.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.855 1.262 . . . . 0.0 113.597 -177.306 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.8 p -94.5 -16.11 23.6 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.365 -0.834 . . . . 0.0 112.993 177.343 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -50.46 -64.69 0.73 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.479 1.512 . . . . 0.0 114.63 -177.283 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.12 -42.69 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.455 -178.027 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.47 -34.06 77.33 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.187 0.903 . . . . 0.0 111.609 177.421 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.95 59.64 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.737 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -56.9 -53.8 53.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.506 1.122 . . . . 0.0 108.058 177.026 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -56.62 -43.77 80.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.829 1.252 . . . . 0.0 112.484 178.636 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -63.92 -41.68 97.58 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.358 0.527 . . . . 0.0 112.194 177.464 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.24 -41.45 85.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.534 0.606 . . . . 0.0 109.751 176.531 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.49 -42.1 99.26 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.205 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.0 -41.47 99.59 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.393 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.06 -41.02 91.46 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.981 0.912 . . . . 0.0 109.782 178.036 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.12 -49.94 70.21 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.401 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.26 -43.7 83.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.692 1.197 . . . . 0.0 111.542 177.396 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.56 -37.94 85.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 110.273 176.464 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.7 m -67.05 -44.09 81.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.595 1.158 . . . . 0.0 110.93 176.301 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -61.14 -43.75 98.4 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.416 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.73 -42.53 99.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.945 1.298 . . . . 0.0 111.294 177.878 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.02 93.06 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.324 0.65 . . . . 0.0 109.892 179.373 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -58.51 -38.49 77.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.533 1.133 . . . . 0.0 111.981 176.655 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.414 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 22.3 t-20 -55.23 -47.19 75.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.781 1.233 . . . . 0.0 112.623 -179.15 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -26.4 2.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.259 2.224 . . . . 0.0 116.43 -177.935 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -22.03 0.63 Allowed Glycine 0 N--CA 1.476 1.317 0 N-CA-C 116.163 1.225 . . . . 0.0 116.163 -178.605 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -128.77 -0.69 5.4 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.082 1.441 . . . . 0.0 114.801 -176.899 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . . . . . . 0 C--N 1.339 0.707 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 177.785 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 084 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -48.82 -40.14 28.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.462 1.905 . . . . 0.0 113.315 177.171 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -98.76 -29.37 13.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 177.514 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.4 -50.97 71.91 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.431 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.68 -57.02 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.933 1.242 . . . . 0.0 111.022 -177.435 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.51 -42.88 83.65 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.849 -0.532 . . . . 0.0 110.964 177.268 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.86 87.63 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.758 1.171 . . . . 0.0 112.395 177.354 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.35 -44.21 97.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.725 1.262 . . . . 0.0 110.227 177.454 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.12 -53.11 62.0 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.58 0.627 . . . . 0.0 109.962 177.236 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -58.2 -45.38 87.73 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.442 1.097 . . . . 0.0 112.789 177.997 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.9 -43.21 96.66 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.512 1.051 . . . . 0.0 113.047 -178.792 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.41 -36.77 74.23 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.065 -1.445 . . . . 0.0 110.265 176.052 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -62.85 -36.43 83.21 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.016 0.826 . . . . 0.0 110.347 177.1 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.82 -41.39 91.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.58 1.152 . . . . 0.0 109.599 178.956 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.01 -48.13 77.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.423 -0.798 . . . . 0.0 108.965 177.991 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt -55.88 -42.22 75.61 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 124.736 1.215 . . . . 0.0 109.222 177.412 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -60.5 -41.18 93.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.701 1.2 . . . . 0.0 110.417 177.127 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -62.32 -46.11 90.2 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.492 -1.38 . . . . 0.0 109.738 175.963 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -64.42 -34.3 77.87 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 118.978 0.808 . . . . 0.0 111.678 176.93 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.27 -39.9 92.1 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.497 176.61 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.65 93.29 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.445 1.09 . . . . 0.0 108.552 176.583 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -67.19 -41.16 86.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.928 -1.108 . . . . 0.0 108.713 179.95 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.65 -48.61 80.99 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.007 -1.058 . . . . 0.0 113.039 177.124 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -71.52 -30.62 66.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.365 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.77 -59.16 1.28 Allowed Glycine 0 C--N 1.346 1.095 0 N-CA-C 117.183 1.633 . . . . 0.0 117.183 -177.886 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -101.4 -10.11 20.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -177.899 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.072 0 O-C-N 118.644 -2.535 . . . . 0.0 113.659 -176.793 . . . . . . . . 0 0 . 1 . 085 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 . . . . . . . . . 0 0 . 1 . 085 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -48.43 -60.83 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.717 2.007 . . . . 0.0 113.386 -178.745 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.2 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.511 -0.281 . . . . 0.0 111.369 -179.87 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.3 t -67.02 -40.32 87.24 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.055 -1.028 . . . . 0.0 113.717 -178.657 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.88 -49.69 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 CA-C-N 119.148 0.885 . . . . 0.0 109.777 177.291 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.59 -42.59 98.27 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.194 178.892 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.52 56.64 Favored Glycine 0 N--CA 1.472 1.087 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 177.188 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.91 -52.03 67.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 118.316 -0.849 . . . . 0.0 108.942 178.742 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.19 -48.97 77.42 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.824 0.738 . . . . 0.0 112.809 -178.328 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.8 m -60.56 -34.95 74.92 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 119.111 0.869 . . . . 0.0 109.537 177.132 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -70.94 -39.73 72.46 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 116.156 -1.878 . . . . 0.0 107.532 179.448 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 -179.821 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.44 -38.22 90.31 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.823 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -69.83 -31.51 69.43 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.335 -179.411 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -62.06 -40.53 96.11 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.905 1.23 . . . . 0.0 109.074 175.361 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.8 -38.03 89.05 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.206 0.941 . . . . 0.0 110.117 175.918 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.46 -35.28 80.42 Favored 'General case' 0 C--N 1.366 1.324 0 CA-C-N 118.715 0.689 . . . . 0.0 109.213 177.363 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -64.87 -44.42 89.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.017 -1.677 . . . . 0.0 108.77 178.45 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -64.87 -43.78 91.86 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.407 -0.808 . . . . 0.0 110.013 178.014 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.25 -44.22 95.44 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 126.251 1.82 . . . . 0.0 111.805 176.987 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.8 96.39 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 123.853 0.861 . . . . 0.0 109.779 176.306 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -62.76 -43.61 98.34 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.168 0.987 . . . . 0.0 109.739 177.832 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -61.74 -33.52 74.19 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.2 1.0 . . . . 0.0 110.459 178.154 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -75.88 -54.12 7.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.103 0.961 . . . . 0.0 112.991 177.342 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.89 -14.39 72.69 Favored Glycine 0 CA--C 1.541 1.684 0 N-CA-C 117.744 1.858 . . . . 0.0 117.744 -177.389 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.69 -20.96 0.82 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 119.355 1.578 . . . . 0.0 113.58 -177.927 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 O-C-N 120.628 -1.295 . . . . 0.0 112.556 179.095 . . . . . . . . 0 0 . 1 . 086 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.8 mt . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 086 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -23.88 -69.41 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -178.085 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.261 80.1 p -68.83 -34.08 74.91 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 177.244 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.2 t -69.69 -39.56 76.88 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.089 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.37 -49.52 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.393 1.477 . . . . 0.0 108.762 177.026 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.89 -52.32 65.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.709 0.804 . . . . 0.0 110.798 177.497 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.23 59.51 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 123.867 0.746 . . . . 0.0 112.171 177.522 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -61.15 -50.39 73.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.632 0.773 . . . . 0.0 111.092 177.237 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.15 -52.8 57.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.057 1.343 . . . . 0.0 112.26 178.105 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.94 -36.84 80.39 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.462 0.705 . . . . 0.0 111.601 177.058 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -70.66 -41.26 72.33 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 119.825 1.193 . . . . 0.0 111.101 178.606 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.96 -37.52 87.72 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.045 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -66.07 -38.74 89.07 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.263 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.95 -37.59 88.15 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.44 -0.788 . . . . 0.0 110.066 178.69 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -62.02 -44.88 95.77 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.461 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.7 mt -63.13 -33.41 75.41 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-O 117.355 -1.307 . . . . 0.0 108.615 -179.734 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.24 -35.43 80.39 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 119.566 1.075 . . . . 0.0 109.108 176.321 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -65.66 -42.78 90.98 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.092 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -64.46 -44.84 89.8 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.035 0.534 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 tp -57.02 -49.2 76.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.121 1.768 . . . . 0.0 111.881 176.629 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.74 78.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.943 . . . . 0.0 110.474 177.858 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -59.03 -43.51 91.61 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.167 0.987 . . . . 0.0 111.874 178.133 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.26 -31.87 73.25 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.158 -0.964 . . . . 0.0 112.006 178.009 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.4 m -75.72 -46.85 28.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.367 1.467 . . . . 0.0 112.575 179.604 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.92 -18.04 48.97 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 116.589 1.395 . . . . 0.0 116.589 -178.81 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -130.25 -51.52 1.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.625 1.213 . . . . 0.0 113.807 -177.5 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.47 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -177.666 . . . . . . . . 0 0 . 1 . 087 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 . . . . . . . . . 0 0 . 1 . 087 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -42.71 -64.94 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.444 1.498 . . . . 0.0 114.608 -176.871 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -81.81 -19.95 40.09 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.282 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.92 -43.6 62.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 119.629 -1.92 . . . . 0.0 111.899 178.939 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.1 -52.5 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 124.637 1.175 . . . . 0.0 109.492 177.352 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -44.72 91.79 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.309 0.644 . . . . 0.0 111.147 177.425 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.36 90.03 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.488 -0.618 . . . . 0.0 111.721 176.994 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.91 -46.51 87.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.1 177.29 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 mt -55.16 -51.75 65.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.932 1.242 . . . . 0.0 110.269 177.388 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -61.28 -40.31 93.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.582 0.753 . . . . 0.0 112.545 177.452 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -69.37 -42.14 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.667 1.122 . . . . 0.0 112.033 177.625 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -66.72 -34.58 78.15 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 120.38 1.445 . . . . 0.0 108.861 176.577 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.24 -44.11 96.13 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 174.582 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.78 -35.8 81.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 120.02 -1.675 . . . . 0.0 109.299 179.576 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -66.99 -40.14 87.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.173 -1.579 . . . . 0.0 107.393 178.67 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.64 -43.83 97.81 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.287 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.8 -36.87 82.37 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.769 -1.207 . . . . 0.0 109.163 177.03 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -64.99 -50.08 67.71 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.835 1.254 . . . . 0.0 109.841 176.043 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -58.09 -42.37 85.47 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.726 -1.234 . . . . 0.0 110.654 177.275 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.31 -44.88 95.49 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 126.065 1.746 . . . . 0.0 109.65 179.056 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.08 -53.31 57.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.874 1.27 . . . . 0.0 111.066 175.858 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.8 m -57.28 -38.76 74.44 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.087 -1.633 . . . . 0.0 110.864 177.178 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -68.26 -37.8 81.09 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.097 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.7 m -68.22 -43.34 78.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.173 1.389 . . . . 0.0 112.533 178.212 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.09 49.14 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 -177.056 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 m -136.02 -47.5 0.66 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.144 1.472 . . . . 0.0 114.567 179.429 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.509 0 O-C-N 121.023 -1.048 . . . . 0.0 113.757 -178.508 . . . . . . . . 0 0 . 1 . 088 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 088 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -43.91 -56.0 4.21 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.843 1.657 . . . . 0.0 113.667 -177.288 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -77.57 -41.34 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -61.5 -35.03 76.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.555 0.742 . . . . 0.0 112.959 -177.692 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.68 -52.28 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.699 1.199 . . . . 0.0 109.945 177.249 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.8 -51.63 68.94 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.14 0.976 . . . . 0.0 111.631 177.689 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.42 -49.74 50.44 Favored Glycine 0 N--CA 1.47 0.936 0 C-N-CA 124.621 1.105 . . . . 0.0 112.191 177.843 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -60.83 -50.14 74.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.599 177.483 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.1 tp -54.97 -47.58 74.36 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.556 178.426 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -43.36 91.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 117.536 -1.221 . . . . 0.0 112.296 177.539 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -67.43 -42.45 83.15 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.813 1.188 . . . . 0.0 112.038 177.034 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.42 -39.85 92.64 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.181 0.901 . . . . 0.0 109.157 179.695 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.2 -37.34 87.12 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.392 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -65.82 -39.12 90.57 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 122.019 -0.425 . . . . 0.0 110.164 177.53 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.87 -35.18 79.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.219 -0.926 . . . . 0.0 109.393 177.44 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 176.892 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -59.23 -41.81 89.54 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.541 1.064 . . . . 0.0 109.692 176.785 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -60.29 -54.58 44.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.622 1.169 . . . . 0.0 111.077 177.194 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -56.3 -45.54 80.21 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.728 -1.232 . . . . 0.0 112.064 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.82 -36.76 84.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.64 1.176 . . . . 0.0 112.225 176.762 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.81 -48.19 72.53 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.015 -1.053 . . . . 0.0 109.157 177.189 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.1 m -56.79 -41.17 77.22 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.617 1.567 . . . . 0.0 110.269 176.578 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -63.82 -41.71 97.81 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.479 -1.388 . . . . 0.0 110.101 178.463 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.4 m -69.48 -35.39 75.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.793 0.837 . . . . 0.0 111.733 -179.113 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.95 -24.89 23.89 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 115.974 1.149 . . . . 0.0 115.974 -177.14 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -135.45 -38.88 0.74 Allowed 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.767 1.283 . . . . 0.0 114.004 -178.261 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.578 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -178.618 . . . . . . . . 0 0 . 1 . 089 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 089 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -45.31 -60.52 2.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.604 1.561 . . . . 0.0 113.72 -177.336 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -73.1 -37.28 66.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.51 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -69.12 -48.59 62.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.401 1.001 . . . . 0.0 113.684 -177.414 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -55.09 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.733 1.213 . . . . 0.0 110.119 -179.283 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.06 -44.37 96.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.931 -0.557 . . . . 0.0 110.598 177.518 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.19 -49.92 54.08 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.775 1.178 . . . . 0.0 112.647 177.184 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -60.02 -50.79 72.33 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 117.569 0.684 . . . . 0.0 110.258 177.332 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -55.17 -45.92 75.77 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.11 0.564 . . . . 0.0 111.25 177.471 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -63.96 -41.38 97.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.82 0.848 . . . . 0.0 111.019 178.676 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.6 -45.21 87.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.431 1.014 . . . . 0.0 111.553 177.316 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.32 -38.66 91.84 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.685 -1.259 . . . . 0.0 109.138 177.103 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.82 -39.19 93.65 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.387 -0.821 . . . . 0.0 109.034 176.991 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.41 -40.8 97.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.605 1.162 . . . . 0.0 109.396 177.321 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -62.02 -42.21 98.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.411 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.87 -42.43 93.72 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.809 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.16 -38.01 87.4 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.467 177.137 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -63.32 -42.4 98.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.098 1.317 . . . . 0.0 109.839 176.93 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.08 -43.28 95.92 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.235 -0.915 . . . . 0.0 109.562 177.395 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.67 -45.95 90.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.098 0.959 . . . . 0.0 110.08 177.305 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.32 84.63 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.278 0.944 . . . . 0.0 109.706 177.277 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.3 m -62.8 -35.57 80.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.524 1.13 . . . . 0.0 110.438 177.059 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -69.88 -51.24 34.85 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.167 -0.958 . . . . 0.0 111.226 177.146 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -59.7 -26.91 65.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.444 1.497 . . . . 0.0 113.174 177.721 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.28 -48.75 2.34 Favored Glycine 0 N--CA 1.472 1.059 0 C-N-CA 124.356 0.979 . . . . 0.0 113.868 179.757 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -117.31 -48.99 2.6 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -177.355 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -177.423 . . . . . . . . 0 0 . 1 . 090 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 090 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -45.02 -52.19 9.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.128 1.771 . . . . 0.0 112.681 -177.939 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -88.59 -40.49 13.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 178.041 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.36 -34.15 77.5 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.367 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -74.24 -52.8 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.905 0.882 . . . . 0.0 109.7 177.395 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.84 -44.97 91.07 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.188 0.595 . . . . 0.0 112.05 177.987 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.34 -49.63 67.39 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 118.993 0.815 . . . . 0.0 112.333 177.409 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.36 -42.17 98.88 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 119.137 -0.458 . . . . 0.0 110.766 177.197 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.37 -47.23 84.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 109.727 177.416 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -40.81 96.4 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.932 0.893 . . . . 0.0 110.2 177.79 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -64.37 -43.79 93.4 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-N 119.856 1.207 . . . . 0.0 109.808 178.351 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.56 -36.49 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.764 0.711 . . . . 0.0 109.99 176.346 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.85 -38.88 92.47 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.865 -1.772 . . . . 0.0 108.296 177.524 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -36.02 82.87 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 177.491 . . . . . . . . 2 2 . 1 . 090 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.48 -48.59 72.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 176.561 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -54.85 -45.55 74.53 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.938 1.295 . . . . 0.0 110.805 176.992 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -59.91 -47.73 84.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.026 0.93 . . . . 0.0 109.263 177.505 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.7 m -62.6 -40.11 95.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.064 1.345 . . . . 0.0 112.239 177.702 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -61.29 -52.55 64.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.348 1.059 . . . . 0.0 109.822 177.669 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.33 -51.16 70.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.313 1.045 . . . . 0.0 111.641 177.344 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.48 76.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.528 0.731 . . . . 0.0 111.283 177.506 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.8 m -66.4 -38.04 86.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.809 0.844 . . . . 0.0 110.535 177.862 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.18 -43.26 99.22 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.278 0.945 . . . . 0.0 111.758 177.731 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -19.17 65.2 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.017 1.727 . . . . 0.0 113.116 178.32 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.78 -45.21 0.66 Allowed Glycine 0 N--CA 1.475 1.285 0 CA-C-N 119.454 1.025 . . . . 0.0 115.234 179.7 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 m -117.27 -9.82 10.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.726 2.01 . . . . 0.0 115.635 -178.149 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.206 0 CA-C-N 119.748 1.158 . . . . 0.0 112.802 -178.253 . . . . . . . . 0 0 . 1 . 091 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 091 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -47.79 -50.51 25.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.858 1.663 . . . . 0.0 112.625 -177.594 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.3 p -84.02 -41.78 16.87 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.505 0.722 . . . . 0.0 112.494 177.673 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -63.24 -48.89 76.31 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.144 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.41 -57.12 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.204 0.911 . . . . 0.0 112.88 177.435 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.95 -40.06 94.43 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.753 0.821 . . . . 0.0 112.003 -179.738 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.15 -42.25 97.03 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 123.956 0.789 . . . . 0.0 112.077 176.263 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.39 -43.03 91.93 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 117.004 -1.474 . . . . 0.0 109.008 177.131 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.44 -39.21 70.01 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.154 0.909 . . . . 0.0 109.466 177.253 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -63.92 -46.11 86.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.794 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.92 -38.64 91.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.38 -44.46 94.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.983 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.3 -39.38 90.24 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.337 1.055 . . . . 0.0 109.21 177.025 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.58 -39.28 91.44 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.308 -0.87 . . . . 0.0 109.559 177.456 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -62.66 -35.69 80.45 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.655 -1.278 . . . . 0.0 109.025 176.667 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.24 -39.67 91.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.445 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.45 -39.47 94.56 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.38 -1.45 . . . . 0.0 108.399 176.99 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -64.94 -40.74 95.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 0.0 109.224 177.908 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.54 -42.4 95.75 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.026 -1.464 . . . . 0.0 108.348 177.112 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -56.39 -51.47 68.21 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 121.002 1.728 . . . . 0.0 109.394 178.139 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -44.67 88.84 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.971 0.908 . . . . 0.0 111.521 177.421 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -60.91 -37.6 82.84 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.862 0.865 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -68.0 -54.55 17.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.102 1.361 . . . . 0.0 108.686 177.26 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.6 m -51.72 -36.64 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.629 1.972 . . . . 0.0 113.757 177.192 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.52 -36.07 6.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.111 -1.383 . . . . 0.0 115.653 -178.652 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -133.98 -49.01 0.8 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.259 1.529 . . . . 0.0 114.724 -177.154 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.102 0 N-CA-C 116.316 1.286 . . . . 0.0 116.316 -177.164 . . . . . . . . 0 0 . 1 . 092 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 . . . . . . . . . 0 0 . 1 . 092 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -50.9 -30.5 14.84 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.356 1.863 . . . . 0.0 113.743 -178.288 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.4 p -111.43 -35.42 5.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.024 1.329 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.82 -44.69 72.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.662 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.23 -43.96 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.443 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.31 -47.78 84.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 110.976 177.007 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.15 98.22 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-O 118.44 -1.2 . . . . 0.0 113.159 177.575 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -66.15 -43.75 86.12 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.146 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.8 tp -58.97 -46.24 88.57 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.327 0.651 . . . . 0.0 109.279 177.185 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -58.84 -46.06 88.59 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.843 -1.16 . . . . 0.0 110.591 177.591 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -58.58 -55.23 37.79 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.416 1.086 . . . . 0.0 111.06 178.065 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.0 -41.15 95.98 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.317 -0.865 . . . . 0.0 111.45 179.179 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.7 -36.88 84.89 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.916 -1.115 . . . . 0.0 109.635 178.344 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -67.76 -34.24 76.42 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.368 -1.457 . . . . 0.0 108.96 178.262 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -64.74 -42.84 94.88 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.967 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.62 -41.28 90.07 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.717 178.428 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.2 -40.38 89.89 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.072 1.305 . . . . 0.0 109.304 178.106 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -68.08 -41.29 82.11 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.743 1.217 . . . . 0.0 109.85 177.85 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -61.07 -36.23 79.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.233 1.013 . . . . 0.0 109.598 178.702 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.349 0.977 . . . . 0.0 108.944 178.309 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.79 91.21 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 119.67 1.123 . . . . 0.0 108.875 177.033 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.8 m -64.72 -35.14 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.068 0.855 . . . . 0.0 109.322 -179.759 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.49 -45.82 82.13 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.622 -1.299 . . . . 0.0 110.608 177.92 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -58.21 -39.4 78.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.524 1.13 . . . . 0.0 112.17 178.51 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -24.75 20.44 Favored Glycine 0 N--CA 1.468 0.819 0 N-CA-C 116.989 1.556 . . . . 0.0 116.989 -178.35 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -136.77 -47.87 0.61 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -177.228 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 C-N-CA 126.664 2.078 . . . . 0.0 117.582 -177.602 . . . . . . . . 0 0 . 1 . 093 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 0 0 . 1 . 093 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -52.93 -34.39 55.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.605 1.562 . . . . 0.0 113.266 -178.435 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 p -102.49 -33.07 9.65 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.197 0.999 . . . . 0.0 113.077 176.803 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.94 -42.29 97.36 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.198 -178.229 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.32 -58.53 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.503 1.047 . . . . 0.0 110.902 178.208 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.11 -42.84 91.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.574 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.41 -48.65 74.26 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.199 0.904 . . . . 0.0 111.356 177.744 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.35 -46.37 86.9 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.06 177.172 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.05 -45.3 75.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.055 0.843 . . . . 0.0 112.143 177.329 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.19 -40.4 93.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.3 1.04 . . . . 0.0 111.154 177.328 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -65.43 -45.66 82.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.549 0.74 . . . . 0.0 109.662 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.26 -35.87 82.24 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.443 -0.786 . . . . 0.0 110.181 176.982 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.23 -40.19 90.09 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.865 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -66.04 -39.86 90.51 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.15 -40.81 74.41 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.893 0.877 . . . . 0.0 110.353 176.445 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.1 mt -55.76 -39.39 71.15 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.933 0.788 . . . . 0.0 110.009 179.577 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -63.36 -45.56 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.856 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -40.37 97.06 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 111.176 177.619 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.1 m-30 -62.85 -47.07 84.99 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.162 0.985 . . . . 0.0 110.245 176.0 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.26 -43.92 92.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.573 1.549 . . . . 0.0 111.063 177.61 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.39 81.53 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -61.41 -40.13 93.3 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 111.94 177.533 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -64.03 -49.48 72.22 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.452 1.101 . . . . 0.0 111.857 176.017 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.8 m -63.42 -40.19 96.52 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.501 1.12 . . . . 0.0 111.626 178.865 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.63 -13.06 68.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 -178.001 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -156.84 -42.93 0.07 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.878 1.839 . . . . 0.0 115.128 -179.131 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.512 0 C-N-CA 124.718 1.151 . . . . 0.0 115.584 -177.473 . . . . . . . . 0 0 . 1 . 094 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 . . . . . . . . . 0 0 . 1 . 094 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -43.04 -46.52 5.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.448 1.899 . . . . 0.0 114.701 -178.113 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -81.98 -43.59 17.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.784 0.802 . . . . 0.0 112.082 177.931 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -55.19 -57.76 10.44 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -178.056 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -44.62 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 120.184 1.356 . . . . 0.0 114.239 -178.301 . . . . . . . . 2 2 . 1 . 094 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.84 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.933 1.242 . . . . 0.0 110.071 177.321 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.91 98.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 177.273 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -62.83 -46.71 86.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.151 -0.928 . . . . 0.0 108.829 177.148 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.08 -44.26 78.8 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.03 0.832 . . . . 0.0 109.922 177.566 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.62 -47.13 85.4 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.963 0.801 . . . . 0.0 110.184 177.371 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.15 -36.38 79.57 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 179.618 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -66.94 -40.94 87.68 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.238 1.381 . . . . 0.0 108.389 176.872 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 120.22 -1.55 . . . . 0.0 108.991 176.327 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.38 -39.5 92.33 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 177.475 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -61.92 -39.84 93.43 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.965 -1.084 . . . . 0.0 109.824 175.46 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.7 -40.46 88.01 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.135 0.88 . . . . 0.0 109.694 175.771 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.41 -40.28 96.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.018 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -65.01 -37.6 88.16 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.759 1.224 . . . . 0.0 110.84 176.346 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -66.05 -46.73 76.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.779 1.231 . . . . 0.0 108.606 177.353 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.28 -47.61 83.1 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.358 0.981 . . . . 0.0 110.038 178.29 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.29 48.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.758 0.823 . . . . 0.0 110.456 177.52 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -57.52 -36.63 71.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.349 1.06 . . . . 0.0 112.181 178.002 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -68.15 -46.56 70.44 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.425 -0.797 . . . . 0.0 111.357 177.054 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.8 m -61.06 -34.21 74.54 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.894 1.678 . . . . 0.0 112.189 178.858 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.18 -16.34 25.56 Favored Glycine 0 CA--C 1.541 1.669 0 N-CA-C 117.012 1.565 . . . . 0.0 117.012 -178.972 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -152.96 -36.34 0.11 Allowed 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -178.155 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.55 0 CA-C-O 117.848 -1.529 . . . . 0.0 115.645 -177.527 . . . . . . . . 0 0 . 1 . 095 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 095 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -39.34 -64.42 0.47 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.001 2.12 . . . . 0.0 115.497 -177.203 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.4 p -74.62 -25.57 59.32 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.209 -0.932 . . . . 0.0 111.691 -179.198 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.86 -43.25 84.07 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.613 -1.305 . . . . 0.0 109.717 178.18 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.06 -53.82 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.436 1.495 . . . . 0.0 109.097 177.286 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 tp -56.39 -46.79 79.94 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.664 0.786 . . . . 0.0 111.846 178.748 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.69 -49.62 75.56 Favored Glycine 0 CA--C 1.544 1.876 0 C-N-CA 124.577 1.084 . . . . 0.0 110.402 179.27 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.19 -42.35 99.33 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.086 177.163 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.07 -48.97 72.79 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.762 1.619 . . . . 0.0 109.84 177.29 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -64.75 -46.84 80.5 Favored 'General case' 0 C--O 1.245 0.86 0 O-C-N 121.422 -0.799 . . . . 0.0 109.742 179.536 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -62.35 -45.49 92.94 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 119.831 -1.793 . . . . 0.0 111.645 -179.595 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.98 -34.3 77.78 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 -179.465 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.7 -38.7 87.27 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 119.679 -1.888 . . . . 0.0 108.833 176.761 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.49 -41.54 96.4 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.126 177.013 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.51 -40.76 97.89 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 120.798 -1.189 . . . . 0.0 108.946 177.471 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.21 -45.51 83.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.818 0.847 . . . . 0.0 108.748 177.059 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.35 -37.38 85.43 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.694 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -66.1 -41.41 90.66 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.346 1.058 . . . . 0.0 111.377 177.633 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.57 -41.55 92.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.392 1.451 . . . . 0.0 108.584 176.616 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.45 -39.96 92.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.011 0.924 . . . . 0.0 110.083 177.164 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.35 82.13 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.974 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.4 m -59.51 -40.67 87.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.883 1.673 . . . . 0.0 109.326 177.159 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -68.54 -43.27 77.05 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.892 -1.13 . . . . 0.0 110.353 177.918 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.1 m -65.26 -34.81 79.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.31 1.444 . . . . 0.0 114.383 177.5 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.62 -14.52 37.37 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.92 1.528 . . . . 0.0 116.92 179.425 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 m -144.27 -49.76 0.28 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.14 1.47 . . . . 0.0 114.222 -177.877 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.315 0 C-N-CA 124.848 1.213 . . . . 0.0 115.351 -175.944 . . . . . . . . 0 0 . 1 . 096 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 . . . . . . . . . 0 0 . 1 . 096 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -50.38 -49.02 55.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.792 1.237 . . . . 0.0 112.248 -175.149 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -82.46 -36.64 26.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 177.223 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.51 -49.09 70.25 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.83 -1.169 . . . . 0.0 112.47 -178.409 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.05 -49.16 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 120.855 -1.153 . . . . 0.0 110.353 177.537 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tp -54.92 -52.6 62.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.486 1.114 . . . . 0.0 111.222 177.381 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.86 -48.55 84.88 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.68 1.609 . . . . 0.0 112.093 178.068 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.71 -47.06 86.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.495 1.147 . . . . 0.0 110.913 177.305 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.65 -50.16 70.97 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.615 1.098 . . . . 0.0 109.512 177.272 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.1 -42.39 98.43 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 120.821 -1.175 . . . . 0.0 110.507 178.288 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -63.72 -45.7 88.76 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 120.687 -1.258 . . . . 0.0 110.8 177.121 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -61.38 -37.07 82.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 121.601 2.001 . . . . 0.0 107.925 177.981 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.43 -35.25 78.87 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.161 -0.962 . . . . 0.0 108.407 178.591 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -68.09 -37.49 81.26 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.874 0.87 . . . . 0.0 109.112 177.355 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.48 -46.37 86.49 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.322 -1.486 . . . . 0.0 107.201 176.234 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.81 -43.85 85.99 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.968 1.307 . . . . 0.0 109.705 176.966 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.74 -39.04 92.86 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.137 0.975 . . . . 0.0 109.268 177.13 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.0 m -65.61 -42.61 91.4 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.148 1.379 . . . . 0.0 109.615 177.205 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -64.96 -41.83 95.13 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 120.988 -1.07 . . . . 0.0 108.986 178.11 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.97 -42.3 99.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.588 1.155 . . . . 0.0 110.446 178.091 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.33 -49.35 74.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.064 0.946 . . . . 0.0 108.935 177.586 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.5 m -57.46 -43.14 83.75 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.101 1.36 . . . . 0.0 110.723 177.141 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.21 -39.89 89.94 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.316 -0.865 . . . . 0.0 111.787 177.21 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -70.69 -33.99 71.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.31 1.044 . . . . 0.0 113.122 178.124 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 -23.45 31.3 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 115.679 1.031 . . . . 0.0 115.679 179.493 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 m -147.84 -39.87 0.18 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.276 1.538 . . . . 0.0 115.063 -177.483 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.793 0 CA-C-N 120.162 1.346 . . . . 0.0 115.485 -178.428 . . . . . . . . 0 0 . 1 . 097 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 117.942 -1.027 . . . . 0.0 112.782 . . . . . . . . . 0 0 . 1 . 097 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -35.45 -61.54 0.44 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.047 1.739 . . . . 0.0 115.682 -177.055 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.6 p -64.71 -45.91 84.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.947 -0.471 . . . . 0.0 111.664 179.989 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.0 t -58.83 -38.05 77.81 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.959 1.304 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.66 -52.92 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.608 1.563 . . . . 0.0 110.123 177.233 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.63 -45.16 89.85 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.167 0.587 . . . . 0.0 111.716 178.041 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.59 -52.66 51.76 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.347 1.451 . . . . 0.0 111.916 175.786 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.585 1.192 . . . . 0.0 111.028 177.176 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.29 -47.7 80.79 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.578 1.081 . . . . 0.0 110.437 177.981 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -62.72 -44.58 95.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.059 -0.972 . . . . 0.0 111.877 176.813 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.86 -45.71 81.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.734 1.152 . . . . 0.0 111.429 -179.629 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -61.62 -40.17 93.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.944 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.29 -34.79 78.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.706 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -62.94 -35.42 80.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.995 1.718 . . . . 0.0 110.124 178.187 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.07 -43.0 96.77 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.496 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.03 -46.66 83.43 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 119.278 0.944 . . . . 0.0 109.933 176.887 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -57.0 -34.61 68.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.595 1.558 . . . . 0.0 111.503 177.47 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -66.96 -49.34 65.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.151 0.981 . . . . 0.0 108.715 178.034 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -63.36 -37.58 87.82 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.652 -0.655 . . . . 0.0 111.442 177.118 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.25 -51.64 62.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.73 1.212 . . . . 0.0 110.272 176.986 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.86 74.85 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.128 0.876 . . . . 0.0 110.204 177.626 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.7 m -62.14 -38.83 90.45 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.528 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.63 -40.92 80.12 Favored 'General case' 0 CA--C 1.553 1.062 0 O-C-N 121.042 -1.036 . . . . 0.0 109.551 177.899 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -61.09 -50.88 71.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.497 1.519 . . . . 0.0 111.272 178.695 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.04 -15.79 71.48 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 -177.098 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -139.34 -53.72 0.56 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.363 -1.669 . . . . 0.0 112.463 -176.637 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.138 0 C-N-CA 125.221 1.391 . . . . 0.0 116.221 -177.494 . . . . . . . . 0 0 . 1 . 098 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 . . . . . . . . . 0 0 . 1 . 098 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -47.32 -63.17 1.12 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.342 1.457 . . . . 0.0 114.165 -179.935 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -63.43 -41.75 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.363 0.529 . . . . 0.0 111.55 -178.89 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.16 -46.66 89.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.876 1.271 . . . . 0.0 112.489 -178.299 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.06 -51.08 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 117.951 -1.024 . . . . 0.0 111.132 177.466 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.66 -50.79 71.03 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 111.977 178.415 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.3 -48.01 65.97 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.91 0.767 . . . . 0.0 112.416 177.587 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.13 -44.5 95.41 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 117.76 0.78 . . . . 0.0 111.29 177.088 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.85 -50.8 71.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.42 0.688 . . . . 0.0 110.807 177.482 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -62.5 -34.91 77.82 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.517 177.318 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.89 -49.22 68.83 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.421 1.009 . . . . 0.0 110.918 177.496 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -62.5 -38.3 89.37 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.891 -1.131 . . . . 0.0 110.423 176.505 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.24 -39.52 86.99 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.979 -1.076 . . . . 0.0 110.4 175.897 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.29 -37.47 87.62 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.91 1.284 . . . . 0.0 109.508 178.814 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -63.99 -45.63 88.16 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 176.618 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.32 -37.86 73.18 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.625 0.77 . . . . 0.0 109.667 177.438 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -63.82 -39.18 93.62 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.754 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.8 m -65.04 -42.53 94.22 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.626 0.771 . . . . 0.0 110.233 177.169 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -64.02 -41.65 97.37 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 121.043 -1.036 . . . . 0.0 111.756 176.74 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.47 -50.4 69.86 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.419 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.11 72.65 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.311 1.044 . . . . 0.0 111.36 176.788 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.3 m -60.45 -40.77 92.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.035 1.334 . . . . 0.0 109.998 176.144 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -68.95 -53.81 18.8 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.362 0.665 . . . . 0.0 111.607 176.592 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -61.21 -44.63 96.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.712 -1.242 . . . . 0.0 113.063 -178.413 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.51 -10.92 67.1 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.397 1.475 . . . . 0.0 116.629 -177.451 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -144.16 -40.97 0.27 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.78 1.79 . . . . 0.0 114.013 178.355 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.206 0 C-N-CA 123.506 0.574 . . . . 0.0 114.415 178.93 . . . . . . . . 0 0 . 1 . 099 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 . . . . . . . . . 0 0 . 1 . 099 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -41.48 -70.53 0.1 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 129.703 3.201 . . . . 0.0 115.449 -176.543 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.7 p -75.74 -21.97 56.97 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 177.752 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -68.97 -44.88 72.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.66 0.784 . . . . 0.0 110.771 178.02 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.26 -50.72 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 117.523 -1.227 . . . . 0.0 110.042 177.496 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.52 -47.64 78.93 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.003 0.82 . . . . 0.0 111.228 177.439 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.08 -51.52 49.67 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 124.151 0.882 . . . . 0.0 111.364 177.131 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.02 -45.1 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.846 177.208 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.98 -54.87 37.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.191 0.996 . . . . 0.0 111.396 177.929 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.0 m -63.86 -39.47 94.27 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.564 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -67.67 -48.23 67.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.137 0.88 . . . . 0.0 112.917 178.635 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.79 -42.07 99.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.402 1.001 . . . . 0.0 110.683 177.049 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -62.13 -44.49 96.52 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.77 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.41 -40.52 96.78 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.706 -1.247 . . . . 0.0 110.18 179.975 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -59.18 -48.32 82.06 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.888 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.26 -44.19 92.42 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.88 177.154 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -58.59 -42.32 87.8 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.169 0.988 . . . . 0.0 110.273 176.432 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -67.84 -37.72 82.26 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.862 0.865 . . . . 0.0 109.103 -176.994 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -67.74 -43.74 79.2 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.812 -1.18 . . . . 0.0 107.922 177.727 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.02 -42.4 94.26 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.276 1.43 . . . . 0.0 111.311 177.575 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -43.56 78.67 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.622 1.101 . . . . 0.0 110.612 177.733 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -66.97 -39.24 87.16 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.907 0.883 . . . . 0.0 110.25 177.404 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.35 -49.19 76.56 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.153 0.981 . . . . 0.0 110.722 177.587 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -69.36 -38.97 78.32 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.711 -0.618 . . . . 0.0 111.121 -179.227 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.9 -27.4 50.36 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 116.521 1.369 . . . . 0.0 116.521 -177.427 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 m -135.72 -39.01 0.72 Allowed 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.189 1.495 . . . . 0.0 113.904 -178.401 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.383 0 N-CA-C 117.054 1.581 . . . . 0.0 117.054 -177.793 . . . . . . . . 0 0 . 1 . 100 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 100 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -41.16 -68.25 0.2 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.137 2.175 . . . . 0.0 116.114 -177.461 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.253 24.9 p -73.52 -19.24 60.96 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.157 1.344 . . . . 0.0 113.328 -179.539 . . . . . . . . 2 2 . 1 . 100 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.76 -43.08 69.55 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.323 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.06 -51.95 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.314 1.445 . . . . 0.0 108.591 177.079 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 mt -56.22 -45.61 79.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.486 1.039 . . . . 0.0 112.793 177.704 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.3 -47.69 88.1 Favored Glycine 0 N--CA 1.472 1.054 0 CA-C-N 119.347 0.976 . . . . 0.0 112.382 177.443 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.66 -44.21 87.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.04 -0.682 . . . . 0.0 110.131 177.518 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.5 -44.28 84.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.27 1.428 . . . . 0.0 109.459 177.027 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.7 m -60.98 -39.67 90.5 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 117.439 -1.267 . . . . 0.0 109.352 179.805 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.06 -48.48 73.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.077 1.308 . . . . 0.0 109.718 176.899 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -65.31 -37.28 86.65 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.556 -1.34 . . . . 0.0 109.874 -179.364 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.04 -42.11 85.39 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 124.604 1.162 . . . . 0.0 108.366 177.534 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -63.52 -36.83 85.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.977 1.311 . . . . 0.0 109.438 177.444 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -65.19 -50.33 66.34 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.146 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -56.67 -46.17 81.27 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.817 1.247 . . . . 0.0 111.045 177.026 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.53 -44.14 97.08 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.083 -0.96 . . . . 0.0 109.484 177.276 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 m -66.09 -38.01 87.18 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.717 1.207 . . . . 0.0 110.425 178.408 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.517 1.053 . . . . 0.0 108.182 178.421 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 mt -58.26 -54.52 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.188 1.395 . . . . 0.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.75 -46.68 70.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.606 1.162 . . . . 0.0 111.571 178.53 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -64.35 -37.11 86.36 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.337 -1.477 . . . . 0.0 111.129 177.671 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -64.07 -45.75 87.39 Favored 'General case' 0 C--O 1.242 0.671 0 O-C-N 120.377 -1.452 . . . . 0.0 110.931 176.26 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -66.47 -44.47 82.65 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.122 -1.611 . . . . 0.0 114.422 176.916 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.74 -25.41 38.52 Favored Glycine 0 CA--C 1.542 1.726 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 -177.67 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -125.72 -47.6 1.68 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.345 1.073 . . . . 0.0 112.147 -179.274 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.089 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 -176.827 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -66.56 -38.44 87.08 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -152.43 174.36 13.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.198 0.999 . . . . 0.0 110.863 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.21 -41.96 85.2 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.69 -49.7 76.72 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.127 1.371 . . . . 0.0 112.132 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.8 p -65.56 -32.5 74.12 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.223 -0.923 . . . . 0.0 111.278 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -44.73 86.35 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.927 0.785 . . . . 0.0 109.047 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.02 -47.29 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.898 0.879 . . . . 0.0 109.151 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.12 -36.49 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.313 1.045 . . . . 0.0 112.275 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.51 57.68 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 125.561 1.553 . . . . 0.0 109.924 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.83 -48.09 82.54 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.882 -1.364 . . . . 0.0 109.325 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.42 -34.17 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.022 0.828 . . . . 0.0 111.343 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 m -61.63 -40.97 96.75 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.612 -1.305 . . . . 0.0 109.546 175.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -70.61 -39.87 73.5 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.71 -39.17 93.19 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 120.475 1.489 . . . . 0.0 108.555 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.43 -43.85 84.55 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.511 1.524 . . . . 0.0 106.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -59.71 -45.25 92.71 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.68 1.127 . . . . 0.0 111.38 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.328 2.7 pp -63.51 -35.51 80.7 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.09 1.314 . . . . 0.0 111.813 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.59 -43.96 88.09 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.924 -1.11 . . . . 0.0 108.984 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -59.29 -45.16 92.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.77 1.628 . . . . 0.0 109.539 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.21 -49.58 76.58 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.846 0.859 . . . . 0.0 111.04 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.88 -51.69 68.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.801 0.841 . . . . 0.0 111.245 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.31 94.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 112.82 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 m -65.27 -45.85 82.85 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.033 -1.042 . . . . 0.0 110.764 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.61 -39.1 93.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.816 0.846 . . . . 0.0 112.379 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -74.48 -44.24 52.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.673 0.789 . . . . 0.0 111.762 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.14 -28.28 60.59 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 115.786 1.075 . . . . 0.0 115.786 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -148.52 -36.58 0.19 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.21 -19.62 59.68 Favored Glycine 0 CA--C 1.548 2.096 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.46 ' H ' ' HD2' ' A' ' 32' ' ' PRO . 33.1 p -119.0 -42.48 0.05 OUTLIER Pre-proline 0 CA--C 1.554 1.13 0 CA-C-O 116.928 -1.51 . . . . 0.0 113.853 176.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HD2' ' H ' ' A' ' 31' ' ' THR . 43.3 Cg_endo -84.38 -2.98 10.08 Favored 'Trans proline' 0 CA--C 1.562 1.913 0 CA-C-N 122.627 1.974 . . . . 0.0 112.574 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.211 0 O-C-N 119.695 -1.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 118.722 -0.656 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -70.89 -33.83 70.97 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -156.73 175.68 13.74 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.688 1.195 . . . . 0.0 111.793 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.0 tp -52.6 -52.55 54.79 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.987 1.315 . . . . 0.0 112.158 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -60.08 -43.17 95.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.761 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -65.46 -30.03 70.76 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.543 1.519 . . . . 0.0 111.755 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -41.71 77.67 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.32 -42.62 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.79 -29.09 70.05 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.032 0.933 . . . . 0.0 109.256 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.17 26.28 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.31 -48.07 79.9 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.273 1.037 . . . . 0.0 109.357 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -58.59 -43.28 89.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.684 1.194 . . . . 0.0 110.524 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.2 m -61.15 -41.61 97.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 118.86 -0.59 . . . . 0.0 110.567 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.47 -40.41 81.02 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 118.625 -0.702 . . . . 0.0 110.515 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.13 -37.6 87.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 119.38 0.991 . . . . 0.0 109.323 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.67 -41.25 88.43 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.721 1.209 . . . . 0.0 109.277 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -62.34 -47.37 84.51 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.058 0.943 . . . . 0.0 110.14 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -54.21 -48.33 71.14 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.63 1.105 . . . . 0.0 110.898 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.29 4.3 pp -67.7 -34.63 77.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.654 -0.688 . . . . 0.0 111.637 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.43 -38.08 89.77 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.942 1.246 . . . . 0.0 108.996 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 m -64.14 -44.69 91.4 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.98 -41.96 84.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 117.513 -1.232 . . . . 0.0 111.238 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.96 -43.9 97.88 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 110.637 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.03 -48.5 81.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.671 0.788 . . . . 0.0 111.459 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -61.65 -44.98 95.96 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.518 -1.364 . . . . 0.0 110.723 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -63.29 -42.43 99.06 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.089 0.955 . . . . 0.0 112.775 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -74.49 -35.1 63.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.191 0.996 . . . . 0.0 112.83 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.11 -27.55 30.73 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -144.77 -34.0 0.37 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.56 -28.46 67.69 Favored Glycine 0 CA--C 1.539 1.565 0 CA-C-O 118.098 -1.39 . . . . 0.0 112.546 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.7 p -113.06 -43.57 0.08 OUTLIER Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 125.237 1.415 . . . . 0.0 111.931 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -77.54 11.14 2.26 Favored 'Trans proline' 0 CA--C 1.565 2.05 0 C-N-CA 123.897 3.064 . . . . 0.0 114.561 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 119.924 1.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.484 1.238 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -69.63 -29.65 67.19 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -156.73 179.71 9.02 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.866 1.266 . . . . 0.0 110.861 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.81 -49.92 71.91 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.777 0.831 . . . . 0.0 111.989 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -60.06 -44.2 94.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.215 1.806 . . . . 0.0 112.828 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -66.04 -25.58 67.11 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.008 1.276 . . . . 0.0 110.66 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -34.31 74.68 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.932 1.242 . . . . 0.0 107.938 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.5 t -70.15 -40.5 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.386 -1.446 . . . . 0.0 107.498 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.65 -36.42 76.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.3 -40.76 91.96 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 127.111 2.291 . . . . 0.0 109.48 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.85 -51.93 65.09 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.426 1.613 . . . . 0.0 107.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.42 -38.98 72.3 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.994 0.815 . . . . 0.0 111.165 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -67.41 -35.11 78.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.616 1.167 . . . . 0.0 110.048 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -71.18 -40.96 70.94 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.93 -35.3 80.71 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.132 1.333 . . . . 0.0 107.84 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -65.56 -45.0 85.03 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -60.99 -40.7 94.48 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.588 1.155 . . . . 0.0 109.341 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -62.55 -50.17 72.38 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.811 -1.181 . . . . 0.0 109.141 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.341 2.3 pp -63.73 -31.93 73.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.313 0.96 . . . . 0.0 110.935 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.27 -41.15 85.99 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.8 m -68.43 -40.36 81.22 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.07 0.85 . . . . 0.0 109.527 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.22 -51.19 70.33 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.1 -52.34 65.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.575 1.15 . . . . 0.0 112.171 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.19 94.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.158 1.383 . . . . 0.0 113.294 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.8 m -62.79 -44.8 95.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.318 1.047 . . . . 0.0 109.655 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -63.21 -55.09 27.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.241 1.416 . . . . 0.0 111.386 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.7 p -66.0 -30.19 70.69 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.552 1.069 . . . . 0.0 111.72 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.69 -23.53 55.75 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 118.643 -1.087 . . . . 0.0 114.314 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -161.18 -43.34 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.03 -43.18 8.51 Favored Glycine 0 N--CA 1.475 1.27 0 C-N-CA 125.797 1.665 . . . . 0.0 117.114 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.21 -47.01 0.18 Allowed Pre-proline 0 N--CA 1.48 1.047 0 CA-C-O 116.558 -1.686 . . . . 0.0 113.49 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -58.12 -24.01 64.24 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.956 2.437 . . . . 0.0 114.72 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.15 0 CA-C-N 120.098 1.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 117.662 -1.161 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -85.59 -29.48 24.08 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -158.36 179.18 9.38 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.36 1.464 . . . . 0.0 111.237 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.1 tp -49.95 -57.89 6.58 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.096 1.359 . . . . 0.0 112.931 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 m -59.47 -44.6 92.99 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.884 0.874 . . . . 0.0 112.477 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.3 p -66.8 -26.62 67.03 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.61 1.095 . . . . 0.0 110.779 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -35.78 67.94 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.456 1.026 . . . . 0.0 108.433 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.56 -40.13 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.95 -30.71 71.77 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.34 -47.33 80.69 Favored Glycine 0 C--N 1.346 1.126 0 C-N-CA 125.403 1.478 . . . . 0.0 109.994 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.12 -48.03 83.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.911 0.885 . . . . 0.0 108.725 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.26 -39.3 82.41 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.712 0.805 . . . . 0.0 110.806 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -64.68 -39.02 92.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.537 0.735 . . . . 0.0 109.235 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.87 -40.66 83.58 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.189 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.85 -36.41 83.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.172 1.351 . . . . 0.0 109.437 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.05 -43.0 79.66 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -64.86 -34.37 78.22 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.498 -0.751 . . . . 0.0 110.474 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.3 -50.43 70.11 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.229 -1.544 . . . . 0.0 107.455 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 2.6 pp -64.25 -35.35 80.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.179 0.9 . . . . 0.0 111.321 177.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.24 -35.08 79.67 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.871 1.214 . . . . 0.0 108.993 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 m -66.27 -47.02 75.05 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -60.36 -39.98 89.12 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 111.393 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -64.48 -40.71 96.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.13 0.972 . . . . 0.0 110.021 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.34 94.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.009 0.924 . . . . 0.0 109.135 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.0 m -62.2 -48.64 79.1 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.512 -0.742 . . . . 0.0 109.804 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.45 -39.72 80.63 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.042 1.337 . . . . 0.0 112.794 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.6 p -78.56 -43.07 27.51 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -27.52 48.09 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -145.34 -27.21 0.46 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.5 -55.53 14.79 Favored Glycine 0 CA--C 1.536 1.366 0 CA-C-N 119.655 1.116 . . . . 0.0 114.177 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.6 p -75.44 -39.46 3.07 Favored Pre-proline 0 N--CA 1.48 1.039 0 CA-C-O 116.622 -1.656 . . . . 0.0 114.75 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -63.84 -14.54 43.69 Favored 'Trans proline' 0 CA--C 1.552 1.418 0 C-N-CA 123.053 2.502 . . . . 0.0 116.115 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.237 0 CA-C-N 120.307 1.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 117.51 -1.233 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -86.03 -38.97 17.31 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -146.42 174.45 11.37 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.326 1.45 . . . . 0.0 109.928 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.69 -45.42 85.68 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.104 -0.997 . . . . 0.0 112.586 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -60.72 -47.34 86.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.615 1.166 . . . . 0.0 111.251 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.6 p -67.09 -27.91 67.74 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.562 1.528 . . . . 0.0 110.196 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -38.83 74.6 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.28 -40.53 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.51 -36.86 81.7 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.651 1.569 . . . . 0.0 108.655 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.4 92.14 Favored Glycine 0 CA--C 1.547 2.038 0 N-CA-C 108.069 -2.012 . . . . 0.0 108.069 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -63.08 -42.16 99.58 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.969 1.385 . . . . 0.0 108.858 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.29 -33.34 75.6 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.012 1.278 . . . . 0.0 109.228 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.5 m -69.74 -36.44 75.85 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.09 -38.58 79.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.177 1.391 . . . . 0.0 108.451 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.68 -35.97 81.4 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.993 1.27 . . . . 0.0 108.931 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 tp -67.3 -45.2 77.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.9 1.28 . . . . 0.0 108.351 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -65.29 -39.28 92.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.188 0.995 . . . . 0.0 110.886 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -59.23 -56.05 27.04 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.091 1.756 . . . . 0.0 108.366 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.308 3.6 pp -60.64 -37.13 80.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.92 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.95 -32.85 74.37 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.112 1.323 . . . . 0.0 108.685 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -70.33 -42.17 72.25 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.462 1.505 . . . . 0.0 108.172 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.18 -40.99 97.28 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.446 -0.783 . . . . 0.0 109.002 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.84 -43.03 99.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.647 1.179 . . . . 0.0 109.623 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.18 86.21 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.236 0.925 . . . . 0.0 110.68 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 m -67.37 -39.07 85.64 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.848 0.859 . . . . 0.0 109.276 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -43.49 81.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.048 1.739 . . . . 0.0 113.094 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.5 p -73.37 -35.14 65.9 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.71 1.141 . . . . 0.0 111.237 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.85 -33.91 35.88 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 120.8 -1.187 . . . . 0.0 115.523 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.4 p -145.06 -40.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.13 -40.14 28.24 Favored Glycine 0 N--CA 1.482 1.725 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -103.44 -42.14 0.19 Allowed Pre-proline 0 N--CA 1.475 0.823 0 CA-C-O 117.018 -1.468 . . . . 0.0 114.412 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -79.23 2.94 7.89 Favored 'Trans proline' 0 CA--C 1.561 1.833 0 CA-C-N 123.259 2.2 . . . . 0.0 114.899 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.457 0 CA-C-N 120.844 1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 117.979 -1.01 . . . . 0.0 108.558 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -107.11 -44.41 4.38 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -136.48 176.3 8.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.105 1.362 . . . . 0.0 108.601 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.4 tp -59.22 -44.24 92.31 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.238 -0.914 . . . . 0.0 111.753 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -56.06 -51.45 67.79 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.037 1.335 . . . . 0.0 112.113 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -65.86 -30.01 70.55 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.599 1.09 . . . . 0.0 110.879 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -39.12 75.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.165 0.893 . . . . 0.0 110.394 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.56 -53.74 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.038 1.335 . . . . 0.0 107.784 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.4 -35.25 69.79 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.352 0.978 . . . . 0.0 110.95 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.47 70.65 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.834 1.683 . . . . 0.0 109.455 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.82 -41.18 97.92 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.295 1.048 . . . . 0.0 110.165 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.42 -42.07 98.16 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.371 0.987 . . . . 0.0 108.349 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -65.01 -35.26 80.62 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.925 1.29 . . . . 0.0 111.017 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.81 -50.97 53.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.078 1.351 . . . . 0.0 108.481 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.44 -32.94 74.53 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.525 1.057 . . . . 0.0 110.169 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.17 -42.56 93.56 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.418 1.087 . . . . 0.0 108.151 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.09 -39.4 89.97 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.159 -0.963 . . . . 0.0 109.834 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.78 -52.52 62.88 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.689 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -61.23 -35.82 78.26 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.408 1.458 . . . . 0.0 111.172 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.17 -35.43 80.77 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.23 1.377 . . . . 0.0 109.076 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.04 -41.68 73.91 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.441 1.496 . . . . 0.0 110.209 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.2 -43.64 97.59 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.84 -41.02 99.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 108.096 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.651 1.18 . . . . 0.0 108.971 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -68.81 -45.11 72.09 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.635 0.774 . . . . 0.0 108.988 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.28 -38.36 83.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.814 1.246 . . . . 0.0 112.415 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 p -82.46 -29.45 30.61 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.105 0.962 . . . . 0.0 113.447 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 -40.62 10.05 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 119.626 1.103 . . . . 0.0 114.75 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -132.44 -37.3 1.08 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.59 -38.69 64.1 Favored Glycine 0 N--CA 1.469 0.856 0 N-CA-C 116.704 1.441 . . . . 0.0 116.704 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.7 p -106.77 -38.51 0.17 Allowed Pre-proline 0 N--CA 1.473 0.687 0 CA-C-O 116.037 -1.935 . . . . 0.0 116.214 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -73.61 -3.32 13.53 Favored 'Trans proline' 0 CA--C 1.559 1.76 0 C-N-CA 123.832 3.021 . . . . 0.0 116.445 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.037 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 p -62.9 -34.97 78.52 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -156.83 174.65 15.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.036 1.334 . . . . 0.0 110.456 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.46 -48.75 78.33 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.856 -1.153 . . . . 0.0 112.056 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -49.33 73.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.793 1.237 . . . . 0.0 111.396 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -65.6 -29.24 69.81 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.679 1.127 . . . . 0.0 110.892 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -45.33 78.2 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.14 -38.47 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.6 tp -62.68 -35.66 80.4 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.964 0.802 . . . . 0.0 109.15 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.49 67.34 Favored Glycine 0 N--CA 1.466 0.653 0 C-N-CA 125.059 1.314 . . . . 0.0 109.964 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.64 -46.83 87.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.945 1.698 . . . . 0.0 108.618 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -41.92 98.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 109.705 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -62.0 -34.07 75.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.941 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -69.66 -40.74 76.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.213 0.915 . . . . 0.0 109.472 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.84 -37.07 86.38 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.617 1.099 . . . . 0.0 108.215 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.83 -42.98 94.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.689 1.196 . . . . 0.0 109.477 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -61.08 -41.06 95.93 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.704 1.602 . . . . 0.0 110.0 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.4 -55.12 34.96 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.221 1.008 . . . . 0.0 109.174 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.31 3.3 pp -63.95 -30.99 72.03 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -64.94 -38.72 91.91 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.809 1.186 . . . . 0.0 108.913 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -63.08 -45.19 93.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.533 1.133 . . . . 0.0 109.779 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -62.69 -42.62 99.73 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.624 -0.672 . . . . 0.0 110.436 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.86 -46.49 89.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.633 1.173 . . . . 0.0 110.485 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.52 93.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.083 0.953 . . . . 0.0 111.466 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -64.25 -42.18 96.62 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.535 -0.728 . . . . 0.0 109.767 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.13 -43.44 98.38 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.389 -0.82 . . . . 0.0 112.821 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -78.01 -16.56 57.99 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.557 1.072 . . . . 0.0 113.814 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.85 -46.78 4.71 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.334 1.445 . . . . 0.0 113.925 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.3 p -131.54 -30.23 1.69 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.17 -64.76 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.226 0.917 . . . . 0.0 114.792 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.4 p -75.39 -40.39 3.43 Favored Pre-proline 0 N--CA 1.472 0.66 0 CA-C-O 116.512 -1.708 . . . . 0.0 115.409 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -73.19 -7.73 20.98 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 CA-C-N 122.863 2.058 . . . . 0.0 115.019 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 119.862 1.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -78.29 -30.32 48.36 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -158.85 178.47 10.06 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.826 1.25 . . . . 0.0 111.51 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.2 tp -53.09 -56.68 14.35 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.466 1.106 . . . . 0.0 111.865 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -58.28 -44.24 88.38 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.584 1.153 . . . . 0.0 113.014 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.3 p -65.39 -35.17 80.13 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.26 0.936 . . . . 0.0 110.061 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -35.49 76.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.751 -1.218 . . . . 0.0 109.936 177.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.24 -46.65 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.2 -37.34 79.97 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 0.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -45.13 88.82 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.35 -42.26 98.91 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.228 1.514 . . . . 0.0 110.554 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.08 -45.03 94.27 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.183 0.993 . . . . 0.0 108.495 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 m -63.07 -37.59 87.81 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.46 1.104 . . . . 0.0 111.406 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.64 -45.01 65.96 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 117.604 -1.189 . . . . 0.0 110.951 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -61.08 -37.52 82.97 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 121.437 1.926 . . . . 0.0 108.795 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.84 -49.72 71.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.58 -39.56 84.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.085 -1.635 . . . . 0.0 111.076 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.79 -54.05 47.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.764 0.826 . . . . 0.0 110.002 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.1 pp -64.5 -33.7 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.59 1.086 . . . . 0.0 113.02 177.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.68 -38.39 87.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.726 0.81 . . . . 0.0 110.57 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -52.91 -51.76 60.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.745 1.218 . . . . 0.0 111.441 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.89 -37.87 85.2 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.53 -35.38 80.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.758 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.2 98.16 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 123.735 0.814 . . . . 0.0 108.871 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -66.01 -43.69 86.95 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.137 -0.977 . . . . 0.0 108.552 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -56.12 -68.94 0.16 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.398 -1.439 . . . . 0.0 112.25 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -75.37 -3.62 34.65 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 117.917 -1.04 . . . . 0.0 113.567 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.16 -23.51 14.61 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.565 1.079 . . . . 0.0 113.224 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -160.2 -41.09 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.51 -55.41 7.99 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 127.091 2.282 . . . . 0.0 116.306 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.25 -43.94 0.35 Allowed Pre-proline 0 N--CA 1.469 0.5 0 CA-C-O 116.68 -1.629 . . . . 0.0 112.729 176.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.28 -11.07 30.84 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 123.416 2.744 . . . . 0.0 113.832 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.328 0 O-C-N 118.272 -2.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 p -71.67 -28.78 63.96 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -162.27 178.03 9.08 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 120.209 -1.557 . . . . 0.0 110.291 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.15 -54.13 40.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.527 1.531 . . . . 0.0 111.845 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -59.57 -47.22 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.763 1.225 . . . . 0.0 112.895 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -63.56 -32.21 73.61 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.668 1.122 . . . . 0.0 111.601 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -46.29 81.07 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.3 -46.97 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.735 -0.603 . . . . 0.0 111.41 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.79 -39.88 82.39 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.578 1.151 . . . . 0.0 108.884 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.18 -48.84 29.66 Favored Glycine 0 CA--C 1.555 2.557 0 N-CA-C 108.23 -1.948 . . . . 0.0 108.23 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.11 -44.21 97.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.62 1.21 . . . . 0.0 110.709 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.84 -39.34 93.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.654 1.116 . . . . 0.0 108.986 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -62.31 -36.75 83.14 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 119.865 1.212 . . . . 0.0 108.975 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.88 -44.52 80.67 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.31 -39.79 94.18 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 120.688 -1.257 . . . . 0.0 108.397 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.51 -41.53 98.52 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -62.61 -35.52 79.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.673 1.189 . . . . 0.0 109.212 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.69 -54.05 50.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.104 -0.998 . . . . 0.0 109.66 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.257 4.4 pp -68.03 -32.42 72.77 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.198 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -61.47 -38.4 87.12 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.15 1.341 . . . . 0.0 110.21 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -61.75 -48.07 82.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.246 0.619 . . . . 0.0 109.431 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.93 -37.59 87.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.79 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.3 -41.32 96.91 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.5 96.02 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 119.599 1.09 . . . . 0.0 110.338 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.7 m -66.15 -45.13 82.05 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -55.3 -58.05 9.31 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.313 2.245 . . . . 0.0 113.525 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 p -78.03 -27.1 48.72 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.16 -25.03 41.74 Favored Glycine 0 CA--C 1.548 2.095 0 CA-C-O 118.796 -1.002 . . . . 0.0 115.101 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -145.84 -36.99 0.26 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.87 -23.28 69.16 Favored Glycine 0 N--CA 1.478 1.443 0 CA-C-O 117.571 -1.683 . . . . 0.0 115.421 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -108.66 -43.37 0.11 Allowed Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 115.762 -2.066 . . . . 0.0 113.814 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -64.69 -27.32 60.53 Favored 'Trans proline' 0 C--N 1.355 0.92 0 CA-C-N 123.764 2.38 . . . . 0.0 113.435 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.736 0 CA-C-N 120.839 1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -80.78 -31.46 35.79 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -160.28 178.66 9.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.169 1.387 . . . . 0.0 111.313 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.3 tp -49.24 -56.96 7.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.875 1.27 . . . . 0.0 112.401 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -58.29 -47.66 82.93 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.101 1.36 . . . . 0.0 112.331 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 p -65.01 -35.06 79.98 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 119.343 0.974 . . . . 0.0 110.024 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -38.37 79.24 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.12 -50.09 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.98 -37.83 69.59 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.474 1.11 . . . . 0.0 111.259 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -49.03 64.46 Favored Glycine 0 CA--C 1.543 1.827 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.61 -40.48 97.08 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.595 -0.944 . . . . 0.0 110.421 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.38 -40.17 93.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.304 -0.873 . . . . 0.0 108.932 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 m -61.81 -37.5 84.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.624 0.769 . . . . 0.0 110.429 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -70.13 -46.45 64.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.309 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.31 -36.58 80.49 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.634 1.106 . . . . 0.0 110.989 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -44.98 90.19 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.876 1.271 . . . . 0.0 108.715 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -58.74 -36.32 74.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.232 1.013 . . . . 0.0 111.795 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -58.9 -53.18 61.25 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.139 -1.601 . . . . 0.0 109.376 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.333 3.2 pp -67.09 -30.08 70.01 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -65.48 -39.1 91.54 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 119.621 -1.924 . . . . 0.0 107.765 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -65.35 -48.11 74.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.143 1.377 . . . . 0.0 109.173 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -61.15 -36.29 79.37 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.124 -0.985 . . . . 0.0 111.225 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.56 -38.56 91.43 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 119.348 0.976 . . . . 0.0 110.66 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.68 94.78 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -62.01 -48.85 78.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.193 -0.942 . . . . 0.0 109.547 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -56.7 -43.7 80.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.348 1.459 . . . . 0.0 113.708 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -78.36 -34.31 48.44 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.798 1.239 . . . . 0.0 113.574 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.58 -24.41 28.38 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -146.4 -33.51 0.31 Allowed 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.664 1.732 . . . . 0.0 115.472 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.94 -20.87 62.84 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-O 118.602 -1.11 . . . . 0.0 115.183 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.8 p -117.49 -39.63 0.06 OUTLIER Pre-proline 0 CA--C 1.547 0.856 0 CA-C-O 116.42 -1.753 . . . . 0.0 113.714 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -61.96 -12.2 24.9 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 123.193 2.595 . . . . 0.0 116.625 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 O-C-N 120.215 -1.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 p -73.09 -33.2 65.47 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -155.0 177.36 11.41 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.667 1.187 . . . . 0.0 111.208 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -54.33 -51.61 64.16 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.692 1.197 . . . . 0.0 112.278 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -58.14 -48.82 79.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.366 1.066 . . . . 0.0 112.265 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -65.56 -31.92 73.23 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.681 -1.262 . . . . 0.0 111.656 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -42.31 81.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.262 0.937 . . . . 0.0 108.667 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.61 -43.22 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 116.955 -1.498 . . . . 0.0 108.455 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.15 -36.94 76.15 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.581 1.537 . . . . 0.0 110.757 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -47.39 84.46 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -63.36 -42.26 98.88 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.67 0.788 . . . . 0.0 110.002 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.46 -37.83 88.8 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.182 0.901 . . . . 0.0 108.801 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -66.06 -36.19 82.55 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.422 1.089 . . . . 0.0 110.079 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.38 -50.88 62.02 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.154 0.982 . . . . 0.0 108.429 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.71 -37.39 81.52 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.047 -1.033 . . . . 0.0 110.553 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.88 -44.94 88.03 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -59.49 -37.52 78.46 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.326 1.05 . . . . 0.0 110.413 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -63.21 -54.37 38.53 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.944 -1.097 . . . . 0.0 108.115 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.348 4.1 pp -64.14 -30.45 71.51 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.748 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.16 -40.78 96.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.815 1.189 . . . . 0.0 107.994 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -63.23 -43.68 97.39 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.15 1.38 . . . . 0.0 109.524 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -65.9 -38.77 89.6 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.541 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.9 -38.04 85.51 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 120.217 1.371 . . . . 0.0 109.321 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.71 89.06 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -63.42 -45.12 92.45 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.096 0.958 . . . . 0.0 109.234 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.53 -43.03 99.61 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.296 1.438 . . . . 0.0 112.749 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -77.93 -36.45 49.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.863 0.865 . . . . 0.0 112.709 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.34 52.04 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 117.157 1.623 . . . . 0.0 117.157 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.0 p -145.84 -42.08 0.21 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.48 -46.3 92.11 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.595 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.8 p -89.32 -43.69 0.43 Allowed Pre-proline 0 N--CA 1.481 1.089 0 CA-C-O 115.557 -2.163 . . . . 0.0 113.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -67.01 -3.98 10.66 Favored 'Trans proline' 0 CA--C 1.551 1.361 0 C-N-CA 123.397 2.731 . . . . 0.0 114.178 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.033 0 CA-C-N 120.815 1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -83.29 -38.31 22.31 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -177.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -154.45 179.92 8.56 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.129 1.331 . . . . 0.0 111.506 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.6 tp -50.55 -58.15 6.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.715 1.606 . . . . 0.0 111.344 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -57.15 -48.42 78.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.362 1.465 . . . . 0.0 113.015 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.099 1.318 . . . . 0.0 111.955 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.07 80.49 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.236 -0.915 . . . . 0.0 109.356 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.48 -51.8 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.902 1.281 . . . . 0.0 109.881 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.53 -36.16 71.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.239 1.015 . . . . 0.0 110.614 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.28 67.12 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -61.34 -47.95 83.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 117.642 0.721 . . . . 0.0 110.265 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.98 -40.67 81.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.846 0.858 . . . . 0.0 110.721 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.2 m -62.35 -40.69 97.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.348 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.78 -41.44 87.68 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.382 0.992 . . . . 0.0 110.072 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.09 -39.05 91.14 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.302 -0.874 . . . . 0.0 109.351 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.27 -39.54 86.06 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -60.2 -32.25 70.91 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.789 1.235 . . . . 0.0 110.271 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.81 -57.26 11.52 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.299 1.0 OUTLIER -65.64 -30.64 71.38 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.803 0.729 . . . . 0.0 110.657 179.804 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -65.09 -38.81 91.93 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.9 m -65.93 -44.39 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.074 1.35 . . . . 0.0 108.348 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -61.17 -41.34 96.6 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 119.093 0.861 . . . . 0.0 109.012 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.56 -34.65 78.74 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.518 1.127 . . . . 0.0 109.754 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.08 90.15 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.659 1.183 . . . . 0.0 108.27 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -62.33 -48.23 80.74 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.55 -36.9 81.92 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -86.38 -28.39 23.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.752 -1.217 . . . . 0.0 113.941 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -12.56 52.13 Favored Glycine 0 CA--C 1.544 1.863 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -149.56 -42.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.19 -44.72 88.89 Favored Glycine 0 C--N 1.342 0.895 0 C-N-CA 124.203 0.906 . . . . 0.0 115.062 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.301 8.9 p -95.83 -55.29 0.21 Allowed Pre-proline 0 N--CA 1.473 0.716 0 CA-C-O 116.045 -1.931 . . . . 0.0 114.816 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -65.32 -11.32 29.66 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 CA-C-N 123.893 2.426 . . . . 0.0 116.779 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 120.515 -1.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p -68.78 -31.65 70.82 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -159.6 177.88 10.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.55 1.54 . . . . 0.0 110.923 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.39 -45.97 80.35 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.4 -0.812 . . . . 0.0 112.869 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -57.17 -51.92 67.38 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.288 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -62.3 -30.27 71.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.101 1.318 . . . . 0.0 112.441 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -46.77 72.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.491 0.587 . . . . 0.0 110.575 176.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.86 -50.22 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.676 1.19 . . . . 0.0 109.803 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.3 mt -56.96 -52.58 64.65 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.705 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.96 -50.6 50.3 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.742 1.163 . . . . 0.0 113.319 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.05 -47.47 85.74 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.851 0.825 . . . . 0.0 110.958 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.16 -38.86 92.85 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.701 0.682 . . . . 0.0 110.127 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -64.54 -34.38 78.1 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.361 -1.304 . . . . 0.0 108.029 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -70.01 -41.21 74.61 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.494 -1.241 . . . . 0.0 108.823 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.68 -39.04 90.87 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.48 -40.46 95.73 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.919 0.887 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -64.74 -43.14 94.31 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.167 1.387 . . . . 0.0 110.315 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.59 -49.45 77.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.396 1.078 . . . . 0.0 108.736 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.335 4.4 pp -64.26 -30.98 72.01 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.173 0.897 . . . . 0.0 111.104 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.85 -37.87 85.29 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -62.37 -42.65 99.58 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -65.16 -43.69 90.96 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.066 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.17 -45.53 92.79 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.858 1.208 . . . . 0.0 109.877 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.03 96.67 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.709 1.204 . . . . 0.0 109.283 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -61.91 -43.14 99.46 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.89 -48.75 79.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.263 1.825 . . . . 0.0 113.25 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -74.38 -35.94 63.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.66 -21.61 55.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.954 1.141 . . . . 0.0 115.954 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.1 p -150.31 -41.52 0.13 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.7 -36.51 86.5 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.44 1.495 . . . . 0.0 114.865 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.3 p -100.33 -42.41 0.22 Allowed Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 115.661 -2.114 . . . . 0.0 113.371 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.84 -21.81 73.01 Favored 'Trans proline' 0 CA--C 1.559 1.761 0 C-N-CA 122.438 2.092 . . . . 0.0 115.353 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 117.933 -1.032 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 p -64.2 -44.35 92.22 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -150.33 179.32 8.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.723 1.209 . . . . 0.0 111.864 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.81 -47.85 79.32 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.573 0.749 . . . . 0.0 112.119 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -60.28 -47.76 84.63 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.324 1.05 . . . . 0.0 111.56 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -64.14 -32.4 73.95 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.243 1.383 . . . . 0.0 110.259 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -42.04 83.99 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.93 -45.39 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.275 1.03 . . . . 0.0 108.659 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.07 -43.63 91.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.954 1.252 . . . . 0.0 109.388 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -44.14 98.14 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.0 -40.28 94.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.85 0.86 . . . . 0.0 110.388 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.63 -47.79 84.65 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -62.7 -33.34 74.88 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.007 0.923 . . . . 0.0 111.031 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -69.15 -52.5 27.48 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.808 1.185 . . . . 0.0 108.351 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.32 -34.88 77.47 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.428 1.013 . . . . 0.0 110.711 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.66 -46.34 90.16 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 125.412 1.485 . . . . 0.0 108.58 176.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -63.46 -42.5 98.63 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.131 0.878 . . . . 0.0 110.349 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.78 -50.09 73.36 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.103 -0.998 . . . . 0.0 110.159 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 4.4 pp -70.06 -28.49 65.48 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.181 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -62.89 -42.25 99.71 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.422 1.489 . . . . 0.0 107.448 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -63.49 -43.64 96.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -62.03 -44.37 96.86 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.512 1.051 . . . . 0.0 111.921 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.48 -47.73 83.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.869 1.268 . . . . 0.0 109.921 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.62 91.04 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.105 0.962 . . . . 0.0 111.172 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -62.59 -48.58 78.82 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.185 0.994 . . . . 0.0 110.358 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -54.67 -37.97 66.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.134 0.974 . . . . 0.0 113.574 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -87.05 -39.73 15.35 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.71 -32.44 41.21 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -140.22 -19.87 0.87 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.42 -64.96 3.04 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.239 1.399 . . . . 0.0 113.341 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.9 p -71.61 -37.16 5.12 Favored Pre-proline 0 N--CA 1.48 1.033 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -67.29 -9.8 26.45 Favored 'Trans proline' 0 CA--C 1.552 1.411 0 C-N-CA 122.716 2.278 . . . . 0.0 115.382 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.307 0 CA-C-N 120.183 1.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -71.24 -43.28 67.59 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -150.84 175.08 12.35 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.904 1.281 . . . . 0.0 110.873 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.7 -44.56 90.34 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.534 -0.729 . . . . 0.0 112.034 -177.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -58.61 -49.28 78.07 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.752 0.821 . . . . 0.0 112.17 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -63.72 -34.83 78.75 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.204 0.911 . . . . 0.0 110.238 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -40.61 87.66 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.75 -49.02 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.24 -41.63 84.57 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 119.362 0.983 . . . . 0.0 110.0 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -51.13 55.24 Favored Glycine 0 CA--C 1.545 1.915 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.4 -50.92 71.96 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.759 0.824 . . . . 0.0 109.938 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.49 -46.64 66.68 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.534 1.061 . . . . 0.0 110.289 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 m -60.94 -48.33 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.856 0.862 . . . . 0.0 111.963 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.52 -49.9 74.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.12 -35.56 80.67 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.577 1.081 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.37 -36.07 80.62 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.062 -1.024 . . . . 0.0 108.309 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.83 -41.82 82.42 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.112 -0.993 . . . . 0.0 109.501 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.42 -47.55 85.03 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.74 -1.225 . . . . 0.0 108.253 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.314 4.0 pp -65.26 -29.34 70.12 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 117.619 -1.181 . . . . 0.0 110.717 177.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -65.07 -44.13 89.95 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 120.655 1.57 . . . . 0.0 107.662 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -62.34 -37.85 87.22 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -47.09 86.07 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 125.438 1.495 . . . . 0.0 109.048 176.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.14 -45.6 92.48 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 125.073 1.349 . . . . 0.0 110.887 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.29 89.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.78 -1.2 . . . . 0.0 112.309 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -65.86 -40.54 91.76 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.047 -1.033 . . . . 0.0 110.311 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -61.85 -55.54 28.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.433 1.893 . . . . 0.0 111.139 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.0 p -65.71 -37.8 87.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 117.5 -1.238 . . . . 0.0 113.451 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.24 -27.58 30.28 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -143.2 -36.53 0.37 Allowed 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.32 -53.16 48.02 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-N 120.269 1.395 . . . . 0.0 113.09 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.441 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 65.2 m -76.63 -51.78 2.3 Favored Pre-proline 0 CA--C 1.557 1.223 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.467 177.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 16.7 Cg_exo -70.26 4.19 2.56 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 123.969 3.113 . . . . 0.0 117.305 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 O-C-N 119.003 -2.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 107.229 -1.396 . . . . 0.0 107.229 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -61.34 -45.33 94.86 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -150.16 173.53 13.81 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.64 0.733 . . . . 0.0 111.651 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.0 tp -49.08 -50.95 34.39 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.808 1.643 . . . . 0.0 113.218 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -59.88 -49.99 75.53 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 p -60.58 -38.5 84.82 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 119.58 1.082 . . . . 0.0 111.913 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -41.02 99.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.559 0.618 . . . . 0.0 110.94 177.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.17 -48.38 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.043 0.937 . . . . 0.0 111.377 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.48 -42.15 86.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.315 1.046 . . . . 0.0 112.642 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.84 -51.81 56.7 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.18 -52.39 65.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.934 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -52.62 -43.24 65.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.115 0.566 . . . . 0.0 112.179 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.79 -47.33 81.32 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 118.654 -0.689 . . . . 0.0 112.29 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.48 -39.41 77.7 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 117.666 -1.159 . . . . 0.0 111.776 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.54 -40.17 95.95 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.894 1.679 . . . . 0.0 108.362 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tp -68.5 -30.56 69.42 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -74.64 -38.47 62.48 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.41 -51.29 70.45 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.068 -1.645 . . . . 0.0 107.764 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.273 3.3 pp -62.01 -29.42 70.26 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.929 0.768 . . . . 0.0 112.458 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.19 -37.95 81.47 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -67.41 -45.29 76.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.732 1.213 . . . . 0.0 108.603 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -60.06 -42.6 94.86 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.12 -55.31 30.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.542 1.537 . . . . 0.0 108.447 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.33 -42.72 78.14 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.315 1.446 . . . . 0.0 111.889 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -64.31 -39.45 93.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.444 -0.785 . . . . 0.0 110.503 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -69.0 -56.06 8.93 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.733 -1.229 . . . . 0.0 112.807 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -63.3 -28.89 70.32 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.3 -12.11 49.74 Favored Glycine 0 N--CA 1.479 1.5 0 C-N-CA 125.424 1.487 . . . . 0.0 114.72 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -153.76 -52.33 0.1 Allowed 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 120.35 2.075 . . . . 0.0 115.164 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.06 -25.69 32.43 Favored Glycine 0 CA--C 1.551 2.297 0 C-N-CA 125.761 1.648 . . . . 0.0 116.623 -177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.3 m -112.73 -43.97 0.08 OUTLIER Pre-proline 0 N--CA 1.479 1.019 0 CA-C-O 115.427 -2.225 . . . . 0.0 111.997 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -66.53 -14.99 46.3 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.322 2.681 . . . . 0.0 115.17 175.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 121.397 1.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -90.65 -30.83 16.91 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -157.62 177.66 11.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.883 1.273 . . . . 0.0 110.628 177.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.4 mt -54.12 -54.15 43.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.88 0.872 . . . . 0.0 111.239 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -56.73 -44.04 81.24 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.572 1.149 . . . . 0.0 113.395 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -67.64 -31.71 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.19 1.359 . . . . 0.0 110.649 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -42.68 74.43 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.015 0.825 . . . . 0.0 109.237 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -52.33 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.037 1.335 . . . . 0.0 109.661 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.78 -44.98 86.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.218 1.007 . . . . 0.0 110.66 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.65 -49.18 81.36 Favored Glycine 0 C--N 1.343 0.955 0 C-N-CA 124.141 0.876 . . . . 0.0 111.46 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -62.02 -51.71 66.92 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 117.689 -1.148 . . . . 0.0 109.641 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.22 -37.01 74.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 120.307 1.412 . . . . 0.0 112.192 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.52 -34.63 77.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.128 1.331 . . . . 0.0 108.461 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -69.12 -43.41 74.5 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.25 -32.07 73.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.388 1.449 . . . . 0.0 108.322 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.88 -39.58 94.51 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.273 1.429 . . . . 0.0 108.756 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -70.66 -36.57 73.44 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 124.993 1.317 . . . . 0.0 109.147 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.1 -47.56 76.78 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 116.938 -1.506 . . . . 0.0 109.319 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.312 3.8 pp -63.92 -30.36 71.45 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.195 0.907 . . . . 0.0 110.28 176.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -63.88 -42.18 97.56 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.357 -1.719 . . . . 0.0 106.357 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -70.99 -38.03 72.7 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.764 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -62.31 -40.17 95.44 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.578 1.535 . . . . 0.0 112.224 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.18 -48.8 80.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.509 1.124 . . . . 0.0 110.271 176.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.95 86.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.012 0.925 . . . . 0.0 112.253 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.2 m -67.81 -38.42 83.27 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.018 -1.676 . . . . 0.0 111.541 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -64.76 -51.64 61.21 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 119.664 -1.897 . . . . 0.0 109.929 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 p -62.97 -30.57 71.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -14.51 36.54 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 119.639 1.109 . . . . 0.0 115.202 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 m -145.92 -50.17 0.23 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.26 2.03 . . . . 0.0 113.511 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.97 -62.74 5.94 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.545 1.545 . . . . 0.0 115.012 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.2 m -66.31 -49.51 53.58 Favored Pre-proline 0 N--CA 1.496 1.834 0 CA-C-O 117.269 -1.348 . . . . 0.0 112.494 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.4 -47.4 24.28 Favored 'Trans proline' 0 CA--C 1.567 2.136 0 C-N-CA 122.437 2.091 . . . . 0.0 112.502 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.303 0 CA-C-N 119.357 0.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -59.22 -34.32 72.05 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -157.57 175.5 13.86 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.601 1.16 . . . . 0.0 111.256 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 99.4 mt -57.51 -50.44 73.06 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.527 0.731 . . . . 0.0 112.092 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -58.79 -44.72 90.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.717 0.807 . . . . 0.0 111.855 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -66.42 -30.83 71.28 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.18 1.354 . . . . 0.0 110.561 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -41.0 85.25 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.46 -46.4 96.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.552 1.141 . . . . 0.0 108.968 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.4 -40.99 83.88 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.82 -1.175 . . . . 0.0 110.699 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.1 -51.4 58.66 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.7 -45.47 94.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.719 0.807 . . . . 0.0 111.109 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.53 -43.81 93.36 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.124 1.329 . . . . 0.0 111.065 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.9 -41.16 97.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.078 0.853 . . . . 0.0 110.341 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.55 -48.29 75.6 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.565 1.146 . . . . 0.0 110.116 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.44 -35.47 81.01 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.432 1.469 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.96 -41.77 90.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.658 0.783 . . . . 0.0 109.355 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -68.94 -33.98 74.62 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.314 -0.866 . . . . 0.0 110.03 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -65.02 -53.14 50.69 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.641 -1.287 . . . . 0.0 109.923 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.27 4.2 pp -59.65 -37.38 78.55 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.271 1.396 . . . . 0.0 110.778 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -63.51 -42.59 98.48 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -67.8 -45.79 73.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.682 1.593 . . . . 0.0 110.007 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -55.38 -43.9 75.6 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.291 1.036 . . . . 0.0 110.226 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.15 -43.9 98.16 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.375 0.67 . . . . 0.0 109.484 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -49.37 71.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.051 0.941 . . . . 0.0 111.99 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 m -57.85 -41.01 81.5 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.282 0.946 . . . . 0.0 111.003 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.09 -64.77 0.79 Allowed 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.092 -1.005 . . . . 0.0 111.701 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.5 p -58.54 -33.8 70.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.97 -10.83 68.63 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 116.104 1.202 . . . . 0.0 116.104 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -158.96 -48.06 0.06 Allowed 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.838 1.819 . . . . 0.0 114.817 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.06 -41.45 77.8 Favored Glycine 0 N--CA 1.479 1.502 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.05 -52.88 0.99 Allowed Pre-proline 0 N--CA 1.478 0.966 0 CA-C-N 119.491 1.645 . . . . 0.0 110.01 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -55.23 -28.78 63.57 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 123.834 3.023 . . . . 0.0 115.677 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 120.107 1.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -91.52 -26.84 18.58 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.95 2.574 . . . . 0.0 117.95 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -159.59 178.89 9.38 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.145 1.339 . . . . 0.0 110.822 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 mt -49.29 -60.81 2.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.476 1.111 . . . . 0.0 112.082 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -55.86 -46.7 78.18 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.14 0.976 . . . . 0.0 112.4 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -68.8 -31.4 70.38 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.992 1.269 . . . . 0.0 110.398 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -41.69 75.15 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.246 1.385 . . . . 0.0 109.445 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.04 -44.81 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.0 -41.34 87.42 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.235 0.925 . . . . 0.0 110.827 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.74 -38.99 94.7 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -71.74 -44.21 64.49 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 125.055 1.342 . . . . 0.0 108.166 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.25 -42.22 81.09 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 119.951 -1.718 . . . . 0.0 109.078 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.803 1.183 . . . . 0.0 111.175 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.16 -49.3 72.64 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.49 -41.03 93.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.476 -0.765 . . . . 0.0 110.718 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.11 -28.97 69.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.454 1.501 . . . . 0.0 111.537 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -86.48 -40.16 15.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.671 0.788 . . . . 0.0 110.293 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -55.81 -51.63 66.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.095 1.758 . . . . 0.0 110.566 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.254 3.3 pp -60.03 -29.77 68.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.14 -0.975 . . . . 0.0 113.109 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.27 -35.86 71.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -66.5 -42.37 87.47 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.02 -34.88 77.03 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.753 0.706 . . . . 0.0 111.102 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.33 -38.6 91.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.495 1.118 . . . . 0.0 109.245 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.2 96.45 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.788 0.722 . . . . 0.0 109.589 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -67.01 -44.06 81.29 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.123 -0.985 . . . . 0.0 110.326 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.46 -42.69 88.01 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.347 1.859 . . . . 0.0 112.757 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 p -84.12 -31.07 25.44 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.542 1.537 . . . . 0.0 113.903 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.51 -8.78 57.18 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -157.0 -28.03 0.09 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 120.698 2.249 . . . . 0.0 115.244 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.65 -70.02 1.27 Allowed Glycine 0 CA--C 1.538 1.527 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.5 p -71.67 -38.95 6.79 Favored Pre-proline 0 N--CA 1.482 1.135 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -60.72 -32.21 92.82 Favored 'Trans proline' 0 CA--C 1.579 2.775 0 C-N-CA 122.604 2.203 . . . . 0.0 112.958 174.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.161 0 CA-C-N 120.517 1.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -53.43 -53.29 53.46 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -148.36 176.09 10.56 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.969 0.908 . . . . 0.0 111.961 -178.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.99 -44.97 87.48 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.722 -0.656 . . . . 0.0 112.363 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 -49.48 77.63 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.402 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.9 p -63.01 -37.44 87.2 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.405 1.002 . . . . 0.0 111.512 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -41.29 96.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.121 0.873 . . . . 0.0 109.955 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.2 t -64.1 -47.89 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.51 1.524 . . . . 0.0 108.89 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.33 -36.85 76.43 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.136 0.88 . . . . 0.0 110.055 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.72 79.17 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.106 1.336 . . . . 0.0 110.123 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -64.14 -41.42 97.2 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.261 -1.141 . . . . 0.0 110.711 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.61 -42.99 99.65 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 119.558 1.072 . . . . 0.0 108.517 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 m -62.93 -37.69 88.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.125 0.97 . . . . 0.0 110.469 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.51 -51.19 61.79 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 117.873 -1.06 . . . . 0.0 109.283 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.25 -38.22 82.81 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.469 1.486 . . . . 0.0 110.687 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 mt -65.2 -40.98 94.91 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.265 1.026 . . . . 0.0 110.139 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.94 -32.7 65.45 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.822 -1.174 . . . . 0.0 109.9 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.9 -48.26 79.73 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 117.016 -1.468 . . . . 0.0 108.093 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.306 4.6 pp -61.62 -35.12 76.98 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.337 1.426 . . . . 0.0 111.202 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.57 -38.04 89.64 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.217 1.371 . . . . 0.0 107.875 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 m -66.54 -43.31 85.51 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.753 1.221 . . . . 0.0 110.508 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -57.96 -46.06 85.69 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.574 1.079 . . . . 0.0 110.671 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.39 -40.15 93.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 110.376 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.9 73.15 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 119.532 1.06 . . . . 0.0 108.867 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.2 m -58.56 -40.31 82.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.672 -1.267 . . . . 0.0 109.56 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -67.64 -58.01 5.42 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 119.291 -2.131 . . . . 0.0 109.753 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.1 p -66.36 -13.27 60.35 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.89 -19.53 9.04 Favored Glycine 0 N--CA 1.481 1.675 0 C-N-CA 125.752 1.644 . . . . 0.0 114.63 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -146.91 -47.39 0.18 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.77 1.285 . . . . 0.0 113.723 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.73 -34.57 50.82 Favored Glycine 0 CA--C 1.546 1.993 0 C-N-CA 125.953 1.74 . . . . 0.0 115.561 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.7 p -115.95 -36.24 0.08 OUTLIER Pre-proline 0 CA--C 1.555 1.154 0 CA-C-O 115.141 -2.361 . . . . 0.0 115.353 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.35 0.41 6.84 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 123.111 2.54 . . . . 0.0 116.059 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 121.001 1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -67.68 -33.31 74.67 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -177.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -157.2 175.84 13.51 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.644 1.178 . . . . 0.0 111.719 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt -54.59 -49.92 69.26 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.905 0.882 . . . . 0.0 111.711 178.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 m -60.25 -46.54 89.43 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.993 179.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.8 p -61.4 -32.79 72.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.067 1.758 . . . . 0.0 111.171 177.293 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -41.22 70.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.314 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.81 -44.75 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 124.755 1.222 . . . . 0.0 108.565 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.55 -44.98 96.06 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.4 94.05 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.097 0.856 . . . . 0.0 111.088 177.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.19 -45.27 94.1 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.472 1.109 . . . . 0.0 111.466 176.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.08 -41.45 98.19 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.43 -0.793 . . . . 0.0 109.142 177.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -36.85 84.45 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.552 176.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -66.79 -47.0 73.48 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.069 1.348 . . . . 0.0 108.483 177.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.45 -37.97 87.94 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.661 1.119 . . . . 0.0 109.358 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.62 -42.58 95.4 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.07 -38.06 89.7 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.17 0.988 . . . . 0.0 111.374 177.201 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -61.4 -53.65 53.85 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.653 1.181 . . . . 0.0 109.12 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 4.0 pp -64.59 -33.54 76.17 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.073 177.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -64.81 -34.29 78.0 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.728 1.603 . . . . 0.0 109.307 176.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -68.58 -50.43 51.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.622 1.569 . . . . 0.0 107.687 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -57.34 -41.45 80.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.538 0.735 . . . . 0.0 110.757 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.42 -39.96 92.68 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 110.898 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.9 71.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 109.01 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 m -58.44 -40.37 82.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.77 0.828 . . . . 0.0 110.893 177.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.27 -64.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.133 1.773 . . . . 0.0 110.113 178.051 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -61.88 -23.91 66.6 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.375 1.47 . . . . 0.0 114.578 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.67 -20.39 22.08 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 119.463 1.029 . . . . 0.0 114.583 178.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 m -146.48 -49.06 0.2 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.5 1.65 . . . . 0.0 114.802 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -31.48 60.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.034 1.778 . . . . 0.0 116.5 -175.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 p -113.13 -37.03 0.1 Allowed Pre-proline 0 N--CA 1.479 1.001 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 177.542 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.96 -12.51 15.49 Favored 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 123.585 2.857 . . . . 0.0 117.2 176.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.449 0 CA-C-N 120.471 1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -70.28 -28.17 65.0 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -176.576 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -158.0 175.72 13.45 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.437 1.495 . . . . 0.0 110.139 176.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.7 -35.3 77.63 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.931 -1.106 . . . . 0.0 113.311 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -63.24 -48.81 76.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.307 1.412 . . . . 0.0 110.187 176.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -64.42 -27.28 68.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.523 1.056 . . . . 0.0 110.404 177.241 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.73 68.2 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.661 1.119 . . . . 0.0 110.367 177.196 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.1 -45.01 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.95 -34.0 76.99 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.857 -0.592 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.48 92.07 Favored Glycine 0 N--CA 1.474 1.217 0 C-N-CA 125.006 1.289 . . . . 0.0 111.462 175.103 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.99 -42.72 90.68 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.755 1.222 . . . . 0.0 108.224 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 mt -66.04 -47.9 72.83 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -57.31 -33.39 67.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.416 1.086 . . . . 0.0 112.232 177.737 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.58 -52.04 62.73 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.169 0.988 . . . . 0.0 109.6 176.607 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.76 -38.04 89.0 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 118.765 0.711 . . . . 0.0 111.413 177.275 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -65.48 -47.24 76.75 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 0.0 110.732 177.419 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -63.32 -36.09 82.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.029 0.831 . . . . 0.0 110.954 177.233 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -61.64 -55.64 28.4 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 118.045 -0.979 . . . . 0.0 108.409 177.075 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.302 3.9 pp -60.77 -35.0 75.32 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.429 1.013 . . . . 0.0 112.581 177.584 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.52 -42.77 98.45 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.861 1.21 . . . . 0.0 108.916 177.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -65.95 -42.27 90.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.413 1.485 . . . . 0.0 110.712 177.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.13 97.79 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.916 0.886 . . . . 0.0 110.184 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.0 -42.54 98.65 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.624 0.77 . . . . 0.0 110.438 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.79 90.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.793 0.837 . . . . 0.0 110.339 177.186 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.1 m -62.5 -40.34 96.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.229 1.012 . . . . 0.0 111.069 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.26 -48.41 70.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 0.0 112.863 177.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 p -66.7 -19.33 65.74 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.77 -28.4 7.02 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 118.703 -1.054 . . . . 0.0 114.466 178.331 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -142.16 -48.48 0.36 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.43 -42.92 26.91 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.99 1.281 . . . . 0.0 116.231 -176.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 95.1 m -101.88 -51.14 0.16 Allowed Pre-proline 0 N--CA 1.474 0.76 0 CA-C-O 117.185 -1.388 . . . . 0.0 111.68 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 12.8 Cg_exo -72.96 4.11 3.95 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.695 2.93 . . . . 0.0 115.561 178.458 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 O-C-N 120.03 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -55.79 -33.48 64.42 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -157.74 172.81 17.83 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.243 1.417 . . . . 0.0 112.027 176.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.83 -45.34 70.84 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 178.613 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -63.85 -42.73 97.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.764 176.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.4 p -65.54 -29.49 70.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.402 1.91 . . . . 0.0 111.681 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -40.94 89.18 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.616 1.098 . . . . 0.0 109.376 174.424 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.22 -46.6 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.633 1.173 . . . . 0.0 108.071 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -35.73 75.94 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 121.368 -0.833 . . . . 0.0 109.993 177.059 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.4 -48.43 82.32 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 124.892 1.234 . . . . 0.0 110.636 177.289 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.41 -48.24 81.31 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 123.908 0.883 . . . . 0.0 109.044 176.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.87 98.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.357 0.981 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -65.02 -32.7 74.56 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.786 1.234 . . . . 0.0 111.146 178.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -65.73 -51.05 62.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.43 1.092 . . . . 0.0 108.457 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.27 -32.38 73.08 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.23 177.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.84 -46.56 71.45 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.042 1.337 . . . . 0.0 108.3 176.36 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -62.51 -37.71 87.11 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.068 0.849 . . . . 0.0 109.159 177.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.46 -52.32 64.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 117.522 -1.228 . . . . 0.0 107.726 178.229 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.346 3.9 pp -62.1 -34.55 76.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.114 1.325 . . . . 0.0 111.889 177.545 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.84 -40.64 98.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -67.56 -53.3 29.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.524 1.53 . . . . 0.0 110.17 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -58.46 -28.61 65.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.299 1.04 . . . . 0.0 113.197 177.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.61 -36.52 83.02 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.574 1.534 . . . . 0.0 109.092 177.007 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.55 69.5 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -63.14 -36.67 84.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -0.938 . . . . 0.0 111.392 176.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -69.12 -53.61 19.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.215 1.806 . . . . 0.0 110.547 178.269 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.8 p -63.83 -28.65 70.0 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.408 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.13 -29.4 11.5 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-O 118.544 -1.142 . . . . 0.0 114.459 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 m -135.72 -51.81 0.74 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.654 1.727 . . . . 0.0 113.902 -177.227 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.83 -61.31 4.87 Favored Glycine 0 C--N 1.342 0.866 0 C-N-CA 127.971 2.7 . . . . 0.0 115.222 -174.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.8 m -77.3 -49.56 2.28 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 117.203 -1.38 . . . . 0.0 113.76 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.49 -29.11 89.18 Favored 'Trans proline' 0 CA--C 1.549 1.272 0 C-N-CA 122.953 2.435 . . . . 0.0 115.34 179.144 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.653 0 CA-C-N 120.668 1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -84.95 -20.63 30.34 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -177.33 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -164.57 176.48 8.89 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.037 2.135 . . . . 0.0 110.484 176.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.53 -45.46 85.0 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.61 -0.681 . . . . 0.0 111.771 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -59.05 -47.61 84.61 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.684 1.193 . . . . 0.0 112.147 178.061 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 p -65.37 -28.74 69.49 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.419 1.463 . . . . 0.0 111.011 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.25 73.68 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.812 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.72 -46.22 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.103 0.961 . . . . 0.0 109.601 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.98 -31.87 71.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.462 0.705 . . . . 0.0 110.791 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.21 81.72 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 176.742 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.15 -45.52 88.12 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.41 -47.61 81.26 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.083 0.953 . . . . 0.0 110.438 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -59.43 -40.39 86.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.616 1.166 . . . . 0.0 111.832 177.61 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.92 -51.1 66.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.999 0.92 . . . . 0.0 109.941 177.206 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.61 -34.15 75.15 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.776 -0.577 . . . . 0.0 112.221 177.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.62 -44.9 89.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.371 0.668 . . . . 0.0 109.246 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -37.19 86.42 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 122.681 0.392 . . . . 0.0 110.555 177.635 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.41 -55.05 27.48 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.975 176.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.271 3.5 pp -61.56 -33.31 73.64 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.457 1.026 . . . . 0.0 112.74 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.19 -43.74 97.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.572 1.078 . . . . 0.0 109.041 176.205 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -65.97 -51.85 54.82 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.088 1.355 . . . . 0.0 109.578 178.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -61.6 -29.8 70.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.637 0.775 . . . . 0.0 112.205 178.698 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.9 -41.89 99.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.647 1.112 . . . . 0.0 108.897 176.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.96 91.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.447 0.699 . . . . 0.0 109.295 177.447 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -59.08 -46.07 89.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.718 . . . . 0.0 111.02 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.98 -53.36 26.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.807 0.843 . . . . 0.0 111.946 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.1 p -67.24 -17.37 64.78 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.54 -30.5 4.62 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 115.769 1.068 . . . . 0.0 115.769 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -131.62 -46.47 0.97 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -177.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.91 -67.25 2.3 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.931 1.253 . . . . 0.0 114.823 -177.195 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.0 m -64.32 -49.11 74.1 Favored Pre-proline 0 N--CA 1.482 1.151 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.033 177.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.72 -41.78 74.61 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 122.712 2.274 . . . . 0.0 113.821 178.067 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.387 0 O-C-N 120.738 -1.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 p -67.07 -33.05 74.67 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -178.379 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -157.31 172.1 19.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.527 1.531 . . . . 0.0 110.432 178.013 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.2 tp -58.62 -41.47 86.01 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.692 -0.63 . . . . 0.0 112.105 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -58.8 -46.82 86.7 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.766 177.332 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.6 1.545 . . . . 0.0 110.552 177.316 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -46.32 76.68 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.278 0.945 . . . . 0.0 108.541 177.122 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.5 -38.46 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 177.1 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.4 -35.58 77.92 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.9 1.28 . . . . 0.0 108.925 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.59 -46.88 72.77 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 177.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.68 -37.98 89.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.054 1.427 . . . . 0.0 110.141 177.032 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.81 -29.34 67.67 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.971 -1.08 . . . . 0.0 109.247 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m -70.31 -33.71 71.85 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -68.85 -40.5 79.32 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 175.582 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.6 -35.76 81.56 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 120.288 1.404 . . . . 0.0 110.672 176.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.64 -44.56 77.65 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.775 -1.203 . . . . 0.0 108.153 175.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -63.59 -34.22 77.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 120.516 -1.365 . . . . 0.0 111.301 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.26 -55.61 23.39 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pp -60.91 -34.29 74.45 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.627 1.103 . . . . 0.0 112.226 177.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.4 -43.66 93.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.626 1.557 . . . . 0.0 108.781 177.059 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -62.43 -47.97 81.73 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.25 1.42 . . . . 0.0 109.562 177.431 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -58.57 -47.2 85.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.643 0.777 . . . . 0.0 110.471 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 mt -58.7 -42.43 88.57 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.515 1.126 . . . . 0.0 111.275 177.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.91 63.25 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.789 0.835 . . . . 0.0 112.061 177.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -64.83 -38.86 92.39 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.472 -0.767 . . . . 0.0 111.743 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -62.57 -57.56 10.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.167 1.387 . . . . 0.0 112.115 178.046 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -67.03 -24.71 66.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.731 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.03 -36.65 4.9 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.613 1.005 . . . . 0.0 115.613 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -124.41 -44.46 2.0 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.571 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.17 -38.05 93.85 Favored Glycine 0 CA--C 1.533 1.181 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 -176.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.456 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 17.6 m -81.61 -53.34 0.73 Allowed Pre-proline 0 N--CA 1.48 1.073 0 CA-C-O 116.993 -1.479 . . . . 0.0 113.414 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 24.2 Cg_exo -64.8 -18.51 62.68 Favored 'Trans proline' 0 CA--C 1.549 1.228 0 C-N-CA 122.371 2.047 . . . . 0.0 115.234 178.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.17 0 CA-C-N 119.927 1.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -72.67 -36.25 67.9 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -152.57 175.84 12.34 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.592 1.157 . . . . 0.0 111.545 177.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.7 tp -52.52 -53.91 39.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.253 1.421 . . . . 0.0 112.358 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 m -60.59 -48.5 81.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.253 1.021 . . . . 0.0 112.256 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -62.88 -31.04 72.0 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.02 1.282 . . . . 0.0 112.049 177.568 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -47.98 78.88 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.803 0.729 . . . . 0.0 109.291 177.826 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.03 -38.8 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 O-C-N 121.748 -0.595 . . . . 0.0 109.997 177.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.43 -44.12 92.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.737 0.815 . . . . 0.0 111.552 177.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.29 96.84 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 176.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.89 -38.8 89.71 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 121.467 -1.02 . . . . 0.0 109.965 175.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.56 -38.33 89.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.699 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -59.87 -36.71 77.45 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.696 1.134 . . . . 0.0 108.731 178.131 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.2 -44.6 68.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.175 -0.953 . . . . 0.0 109.24 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.86 -35.9 77.78 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.963 -1.086 . . . . 0.0 110.314 177.335 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.8 -43.27 89.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.72 1.208 . . . . 0.0 109.774 175.708 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.13 -38.05 87.45 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.221 1.008 . . . . 0.0 110.083 176.316 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.57 -51.27 63.68 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-O 117.254 -1.355 . . . . 0.0 107.687 178.305 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.294 4.0 pp -63.25 -31.86 73.11 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 120.521 1.509 . . . . 0.0 112.07 177.42 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.36 -37.87 88.94 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.381 1.446 . . . . 0.0 109.324 176.287 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -64.72 -45.81 84.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.74 1.616 . . . . 0.0 108.933 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -64.26 -40.87 96.89 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.565 -1.334 . . . . 0.0 111.187 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.74 -46.93 87.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.179 1.392 . . . . 0.0 109.251 177.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.24 94.13 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 124.22 1.008 . . . . 0.0 110.349 177.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -64.48 -47.57 78.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.255 0.622 . . . . 0.0 111.239 177.245 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.8 -45.9 91.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.065 1.346 . . . . 0.0 111.759 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -68.17 -54.09 20.42 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.561 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -26.15 64.36 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.899 1.52 . . . . 0.0 116.899 -177.361 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -131.25 -39.59 1.16 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.072 1.436 . . . . 0.0 114.702 -177.408 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.79 -39.23 97.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.504 -0.748 . . . . 0.0 114.051 -179.167 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.43 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 13.0 m -81.06 -52.97 0.81 Allowed Pre-proline 0 N--CA 1.478 0.943 0 CA-C-O 117.467 -1.254 . . . . 0.0 113.51 178.842 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 16.5 Cg_exo -71.69 -10.03 25.89 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 123.329 2.686 . . . . 0.0 115.613 178.68 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 119.625 -1.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 p -70.62 -40.23 73.28 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -177.375 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -151.45 175.01 12.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.594 1.158 . . . . 0.0 110.64 177.518 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.15 -44.55 87.93 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.628 -0.67 . . . . 0.0 112.104 -179.409 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -59.61 -46.23 89.59 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.4 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -66.57 -32.79 74.36 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.117 1.326 . . . . 0.0 110.929 176.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -41.87 96.02 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.209 0.913 . . . . 0.0 109.123 176.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.4 -44.64 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.637 1.175 . . . . 0.0 108.894 176.469 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.45 -43.87 84.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.486 1.114 . . . . 0.0 110.118 177.459 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.94 -40.7 95.7 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.72 -40.57 76.16 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.804 176.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.12 -42.31 94.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 118.994 0.815 . . . . 0.0 109.401 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.985 176.745 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -68.02 -45.21 74.61 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 110.013 177.362 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -59.83 -39.89 86.63 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.598 1.544 . . . . 0.0 110.477 176.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.06 -43.24 92.9 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.093 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.05 -37.87 86.59 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 110.027 177.678 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.19 -49.86 70.38 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.03 -42.74 85.97 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.558 1.143 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.9 -40.92 97.1 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.76 1.224 . . . . 0.0 110.685 176.341 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -62.15 -47.56 84.01 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 125.133 1.373 . . . . 0.0 110.404 177.409 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.39 -45.04 89.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.43 0.692 . . . . 0.0 110.712 177.53 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.67 -42.2 98.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.639 1.176 . . . . 0.0 111.314 177.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.96 91.18 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.491 1.041 . . . . 0.0 109.762 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -61.16 -48.56 81.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.323 0.649 . . . . 0.0 109.74 177.425 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.18 -68.34 0.33 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.849 1.66 . . . . 0.0 111.776 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 p -63.79 -21.25 66.33 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.277 1.431 . . . . 0.0 113.094 -176.136 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.52 -28.71 15.81 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.113 0.863 . . . . 0.0 115.194 177.155 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 m -154.23 -36.57 0.1 Allowed 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.217 -1.755 . . . . 0.0 115.719 177.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.99 -34.06 37.85 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.85 1.214 . . . . 0.0 114.93 -178.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.272 14.0 p -109.88 -43.6 0.1 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-O 117.066 -1.445 . . . . 0.0 110.633 178.648 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -62.0 -12.94 28.46 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 123.458 2.772 . . . . 0.0 114.614 177.581 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.169 0 CA-C-N 120.567 1.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -72.66 -34.91 67.57 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -176.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -156.98 175.32 14.25 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.322 1.449 . . . . 0.0 110.522 178.785 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.83 -42.26 88.84 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.678 -1.264 . . . . 0.0 112.969 178.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -59.21 -50.1 75.31 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 117.359 -1.305 . . . . 0.0 109.87 177.539 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -66.53 -26.83 67.33 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.367 1.439 . . . . 0.0 111.346 177.409 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -44.71 68.08 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.808 1.185 . . . . 0.0 108.299 178.11 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.07 -44.38 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.64 -38.61 78.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.891 0.877 . . . . 0.0 109.74 177.15 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.29 -40.69 94.79 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 178.579 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.66 -37.98 88.03 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.806 1.303 . . . . 0.0 108.641 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.73 -39.78 91.48 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.272 -0.892 . . . . 0.0 109.373 175.335 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.6 m -59.72 -42.34 92.86 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.76 -1.213 . . . . 0.0 108.754 176.585 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.77 -49.12 74.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.183 1.393 . . . . 0.0 109.171 177.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.35 -40.65 91.46 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.095 1.316 . . . . 0.0 110.575 177.432 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.21 -38.88 86.02 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.423 1.489 . . . . 0.0 110.096 177.202 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -64.42 -42.25 96.15 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.056 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.68 -45.92 87.91 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.02 -45.89 78.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.827 1.251 . . . . 0.0 111.021 177.499 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.19 -39.5 92.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.596 1.159 . . . . 0.0 109.464 177.369 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -67.09 -40.73 87.0 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.716 1.207 . . . . 0.0 110.568 177.3 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -65.47 -44.13 88.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 109.09 177.698 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.8 -52.95 63.53 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.718 1.607 . . . . 0.0 109.24 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.66 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.281 1.432 . . . . 0.0 111.476 177.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.4 m -57.7 -48.44 79.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 0.0 111.122 178.475 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.94 -54.9 15.17 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.787 -1.196 . . . . 0.0 112.363 -178.056 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.3 p -68.84 -17.9 64.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.19 -22.63 7.41 Favored Glycine 0 N--CA 1.486 2.002 0 C-N-CA 125.151 1.357 . . . . 0.0 114.57 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -141.86 -49.12 0.38 Allowed 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.17 1.485 . . . . 0.0 114.865 -177.636 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.26 -64.06 4.13 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.994 2.235 . . . . 0.0 118.479 -177.078 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -49.18 15.71 Favored Pre-proline 0 N--CA 1.493 1.687 0 CA-C-O 116.709 -1.615 . . . . 0.0 113.453 -177.494 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -67.77 13.43 0.18 Allowed 'Trans proline' 0 CA--C 1.555 1.56 0 C-N-CA 124.675 3.583 . . . . 0.0 115.932 178.216 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -75.79 -23.45 55.86 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -177.647 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -165.89 176.07 8.15 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.281 2.232 . . . . 0.0 110.325 177.064 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.94 -44.9 82.96 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.668 0.787 . . . . 0.0 112.174 178.06 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -56.78 -48.98 76.66 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.885 0.874 . . . . 0.0 111.908 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -67.13 -28.91 68.54 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.19 1.359 . . . . 0.0 111.857 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -48.08 70.25 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 119.251 0.932 . . . . 0.0 109.593 175.511 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.89 -43.26 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 125.193 1.397 . . . . 0.0 108.848 177.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.79 -40.75 93.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.22 1.008 . . . . 0.0 110.472 177.714 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.85 -45.58 93.85 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 177.27 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -59.01 -45.77 89.85 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 176.548 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.91 -38.47 78.99 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.297 1.439 . . . . 0.0 111.521 177.179 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -59.56 -39.66 84.76 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.144 1.338 . . . . 0.0 109.729 177.567 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.4 -42.48 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.929 0.892 . . . . 0.0 109.929 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.85 -40.57 84.66 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.276 0.944 . . . . 0.0 109.23 177.728 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.81 -41.87 99.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.055 1.342 . . . . 0.0 108.771 176.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -41.59 97.15 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.806 0.842 . . . . 0.0 110.249 176.657 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -64.65 -45.69 85.7 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.359 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.38 -46.24 89.21 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.763 1.225 . . . . 0.0 111.597 177.337 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -59.41 -38.86 81.67 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.569 1.148 . . . . 0.0 110.043 177.441 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -64.78 -48.85 72.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.638 1.175 . . . . 0.0 109.269 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.49 -45.48 88.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.782 0.833 . . . . 0.0 109.816 178.13 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.06 -40.02 83.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.484 1.514 . . . . 0.0 111.448 177.606 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.04 97.65 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.68 0.673 . . . . 0.0 110.211 177.781 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -65.86 -45.39 82.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.954 -1.091 . . . . 0.0 110.186 177.049 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -55.95 -60.96 2.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.585 1.554 . . . . 0.0 111.491 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -65.47 -13.12 58.12 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.83 -39.25 2.37 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 119.655 1.116 . . . . 0.0 115.777 178.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 m -137.38 0.9 2.35 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.88 -73.3 1.11 Allowed Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.524 1.059 . . . . 0.0 112.315 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -47.73 62.54 Favored Pre-proline 0 N--CA 1.473 0.711 0 CA-C-O 116.934 -1.508 . . . . 0.0 114.189 -178.479 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.62 -31.39 70.31 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 122.33 1.868 . . . . 0.0 115.145 -178.656 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.001 0 CA-C-N 119.53 1.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 p -61.7 -31.42 71.56 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 -179.323 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -159.25 173.31 16.52 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.984 1.314 . . . . 0.0 109.723 177.287 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.7 mt -60.29 -39.53 87.24 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.725 -0.61 . . . . 0.0 111.96 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m -60.26 -46.02 91.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.109 177.206 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.0 p -68.62 -27.36 65.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.727 1.149 . . . . 0.0 111.145 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.7 -43.65 75.61 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 176.652 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.86 -41.04 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.762 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.49 -34.81 71.34 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.559 1.144 . . . . 0.0 109.244 177.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.5 -48.32 82.8 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 176.413 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -45.39 94.82 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.413 -1.051 . . . . 0.0 109.562 176.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.97 -41.31 96.13 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.953 0.901 . . . . 0.0 110.632 177.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.0 m -62.61 -41.69 99.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.458 1.103 . . . . 0.0 108.764 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -66.44 -43.39 85.77 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.943 1.297 . . . . 0.0 109.338 178.261 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.35 -40.76 95.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.634 1.106 . . . . 0.0 108.845 177.693 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.12 -39.12 89.66 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 123.646 0.779 . . . . 0.0 109.469 176.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -62.87 -40.32 97.14 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.875 0.87 . . . . 0.0 109.881 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -62.09 -48.72 78.93 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.89 -51.76 66.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.253 1.421 . . . . 0.0 109.853 177.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -55.3 -39.94 70.49 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.042 1.337 . . . . 0.0 110.254 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -69.15 -41.55 77.15 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.335 0.654 . . . . 0.0 110.003 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -60.58 -26.56 67.04 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.118 -0.989 . . . . 0.0 112.182 177.299 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.22 -32.54 70.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.891 176.253 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.26 65.08 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 118.748 0.704 . . . . 0.0 109.613 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -61.4 -38.35 86.75 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.245 1.018 . . . . 0.0 111.523 177.016 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.83 -60.39 2.56 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.645 -0.659 . . . . 0.0 112.022 177.278 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -60.4 -30.72 69.78 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.593 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.96 -14.44 62.74 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.974 0.797 . . . . 0.0 114.936 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.6 m -157.1 -50.14 0.07 Allowed 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.527 1.663 . . . . 0.0 114.314 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.59 -48.27 49.92 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 125.162 1.363 . . . . 0.0 116.429 -177.519 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -56.38 0.82 Allowed Pre-proline 0 N--CA 1.475 0.799 0 CA-C-N 119.169 1.484 . . . . 0.0 112.184 177.554 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -62.1 -15.13 41.95 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.818 3.012 . . . . 0.0 116.693 -179.471 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 120.165 1.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 117.785 -1.102 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -73.37 -22.91 60.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -176.652 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -165.96 178.16 6.62 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.127 1.771 . . . . 0.0 110.209 176.306 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.67 -43.45 85.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 119.278 -0.392 . . . . 0.0 111.706 177.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -56.07 -48.81 75.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.425 1.09 . . . . 0.0 112.397 178.111 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -66.95 -32.93 74.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.45 1.477 . . . . 0.0 111.475 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.53 87.05 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.071 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.0 -39.62 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 118.043 -0.979 . . . . 0.0 109.178 177.293 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.75 -32.32 71.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.901 1.228 . . . . 0.0 111.064 177.412 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.05 -50.59 51.04 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 107.759 -2.136 . . . . 0.0 107.759 176.536 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -58.43 -46.68 86.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.222 1.011 . . . . 0.0 109.696 177.15 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.99 -31.87 69.18 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.331 1.052 . . . . 0.0 111.47 177.713 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.5 m -63.16 -37.48 87.38 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.89 -38.01 58.27 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.698 -1.144 . . . . 0.0 109.038 176.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -60.58 -37.16 80.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.9 1.227 . . . . 0.0 108.619 177.683 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.48 -49.83 69.83 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -57.67 -43.94 85.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.491 1.516 . . . . 0.0 111.329 179.676 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -58.43 -57.13 14.3 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.19 1.396 . . . . 0.0 107.817 177.484 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -60.5 -42.82 97.15 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.093 0.957 . . . . 0.0 111.899 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -58.87 -41.82 88.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.878 1.217 . . . . 0.0 110.34 176.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.7 m -64.62 -45.95 84.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.432 0.693 . . . . 0.0 110.111 177.298 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -59.89 -43.67 94.67 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.657 -0.652 . . . . 0.0 110.747 177.224 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.27 -39.85 88.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.507 1.123 . . . . 0.0 111.215 178.39 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.89 75.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.085 0.857 . . . . 0.0 109.962 177.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -62.24 -42.27 99.17 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.318 -0.864 . . . . 0.0 111.393 177.387 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -64.69 -41.83 95.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.202 1.001 . . . . 0.0 113.043 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -81.61 -26.54 34.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.08 -21.93 19.04 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 116.711 1.444 . . . . 0.0 116.711 178.035 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.6 m -134.05 -48.22 0.79 Allowed 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.565 -1.55 . . . . 0.0 114.991 -178.036 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.96 -54.83 34.36 Favored Glycine 0 N--CA 1.479 1.504 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -177.618 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 p -79.01 -46.42 1.71 Allowed Pre-proline 0 N--CA 1.473 0.684 0 CA-C-O 116.588 -1.672 . . . . 0.0 113.984 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -64.02 -29.34 66.23 Favored 'Trans proline' 0 C--N 1.357 1.017 0 CA-C-N 122.87 2.061 . . . . 0.0 113.636 177.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.559 0 O-C-N 120.382 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 p -77.36 -28.75 53.08 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -177.801 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -161.26 179.98 7.9 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.733 1.213 . . . . 0.0 111.575 -177.418 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp -50.57 -54.86 19.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.9 1.28 . . . . 0.0 111.222 177.628 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -57.54 -45.62 84.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 126.174 1.79 . . . . 0.0 112.461 -178.346 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -68.85 -32.72 72.61 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.393 0.997 . . . . 0.0 111.508 177.625 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -41.55 79.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.17 -47.07 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.316 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 tp -57.44 -37.27 72.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.618 1.167 . . . . 0.0 110.178 177.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.78 77.45 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 120.763 -1.21 . . . . 0.0 110.577 176.671 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.31 -40.38 95.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.285 1.542 . . . . 0.0 110.362 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.31 -41.69 98.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.13 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -62.31 -35.6 79.57 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.51 1.124 . . . . 0.0 109.801 177.492 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.91 -46.6 71.13 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.79 1.177 . . . . 0.0 108.209 177.697 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.37 -37.42 87.19 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 119.933 1.242 . . . . 0.0 109.26 178.272 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.95 -45.69 91.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.388 1.075 . . . . 0.0 108.149 176.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -56.92 -46.53 81.93 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 109.638 178.238 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.01 -55.37 34.81 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.305 1.042 . . . . 0.0 109.497 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 tp -51.44 -50.52 59.57 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.944 1.698 . . . . 0.0 112.433 177.914 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -61.38 -39.06 89.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.071 0.948 . . . . 0.0 111.08 177.387 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -67.28 -38.98 85.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.032 0.933 . . . . 0.0 110.689 177.411 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -62.71 -46.83 86.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.202 -0.936 . . . . 0.0 108.493 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.7 -36.62 79.23 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.24 1.016 . . . . 0.0 111.381 177.237 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -48.32 76.62 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.01 -1.056 . . . . 0.0 109.535 176.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.7 m -61.68 -39.69 92.34 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.314 -1.491 . . . . 0.0 109.415 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.71 -57.39 7.23 Favored 'General case' 0 CA--C 1.562 1.425 0 O-C-N 120.513 -1.367 . . . . 0.0 111.572 177.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.2 p -63.95 -26.02 68.4 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -178.277 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.72 -9.9 45.05 Favored Glycine 0 C--N 1.347 1.145 0 C-N-CA 125.27 1.414 . . . . 0.0 115.832 178.491 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -151.67 -51.95 0.12 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 119.669 -2.077 . . . . 0.0 115.005 177.748 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.8 -61.2 4.92 Favored Glycine 0 N--CA 1.468 0.804 0 C-N-CA 126.156 1.836 . . . . 0.0 117.324 -178.326 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.09 -48.09 2.08 Favored Pre-proline 0 N--CA 1.475 0.815 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.768 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.74 -8.94 21.0 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.948 2.432 . . . . 0.0 116.317 177.647 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.082 0 CA-C-N 121.029 1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -70.84 -32.4 69.42 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -177.938 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -160.08 175.76 12.59 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.248 1.419 . . . . 0.0 110.761 177.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 tp -56.36 -42.43 77.78 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.732 -0.605 . . . . 0.0 112.183 178.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -58.19 -50.18 74.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.44 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.1 p -63.86 -34.04 77.05 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 120.08 1.309 . . . . 0.0 110.317 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -45.68 77.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.413 1.006 . . . . 0.0 109.07 -179.578 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.75 -40.94 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 119.947 -1.721 . . . . 0.0 109.279 177.474 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.78 -31.44 72.41 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.615 1.098 . . . . 0.0 109.331 175.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.45 -47.42 63.01 Favored Glycine 0 CA--C 1.543 1.83 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 177.318 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.67 -46.36 89.27 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.375 1.088 . . . . 0.0 109.103 176.82 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.71 -41.62 91.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.654 0.661 . . . . 0.0 110.253 176.886 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -62.12 -38.38 88.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.451 176.898 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.41 -39.64 85.54 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.077 0.853 . . . . 0.0 108.833 176.9 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.12 -34.79 78.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.225 0.92 . . . . 0.0 109.267 177.472 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.5 -37.97 83.63 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 176.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -66.57 -42.04 87.63 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.867 1.267 . . . . 0.0 108.032 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.92 -44.85 94.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.544 1.137 . . . . 0.0 107.95 177.155 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.63 -47.52 85.26 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.42 1.088 . . . . 0.0 110.178 177.244 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.01 -37.25 84.17 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 120.04 1.291 . . . . 0.0 110.918 176.68 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -66.47 -40.26 89.24 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.718 1.207 . . . . 0.0 108.286 178.88 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.14 -38.19 81.9 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.794 177.188 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -41.61 95.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.137 1.335 . . . . 0.0 108.854 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.21 92.06 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.951 0.796 . . . . 0.0 109.697 177.53 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -60.36 -52.8 63.71 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.936 1.294 . . . . 0.0 109.776 177.434 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -55.28 -52.69 62.61 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.504 2.322 . . . . 0.0 111.973 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -73.84 -38.44 64.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.559 1.144 . . . . 0.0 112.912 -177.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.62 -22.44 46.82 Favored Glycine 0 N--CA 1.475 1.237 0 O-C-N 120.638 -1.289 . . . . 0.0 116.217 -176.557 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 m -148.93 -37.45 0.17 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -179.477 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.9 -22.21 64.3 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 126.003 1.763 . . . . 0.0 115.304 -177.297 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.6 p -115.11 -42.52 0.06 OUTLIER Pre-proline 0 N--CA 1.479 1.008 0 CA-C-O 116.657 -1.639 . . . . 0.0 113.361 178.917 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -75.36 -4.9 15.97 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 123.357 2.705 . . . . 0.0 115.267 177.497 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.019 0 CA-C-N 119.729 1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p -47.52 -47.58 27.74 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -177.128 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -152.47 169.21 23.16 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.43 1.492 . . . . 0.0 109.552 176.847 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.21 -42.79 99.34 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.855 -1.153 . . . . 0.0 112.621 -177.212 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -59.31 -47.89 83.68 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.4 177.554 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -65.06 -26.38 68.22 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.028 0.831 . . . . 0.0 111.439 176.591 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -45.89 70.17 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.53 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.73 -41.52 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 123.703 0.801 . . . . 0.0 109.036 176.931 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.65 -41.18 89.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.246 1.018 . . . . 0.0 111.19 177.257 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.51 88.6 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 125.39 1.471 . . . . 0.0 109.465 178.329 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.59 -49.3 78.29 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.691 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.66 -43.19 84.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.18 0.992 . . . . 0.0 110.931 177.773 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.8 m -60.65 -39.16 87.28 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.546 1.521 . . . . 0.0 109.731 177.483 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -69.03 -43.95 73.7 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.332 1.053 . . . . 0.0 109.264 177.868 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -65.71 -35.59 81.19 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.7 -1.25 . . . . 0.0 110.229 177.041 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.98 -38.57 79.42 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.633 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -62.99 -40.91 99.17 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 107.377 178.012 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -67.34 -41.96 84.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.977 0.911 . . . . 0.0 109.484 176.319 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.11 -45.06 96.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.206 1.402 . . . . 0.0 110.037 177.398 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -64.3 -34.3 77.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 109.948 176.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -65.86 -48.32 71.96 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.662 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.89 -45.48 78.6 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.327 1.051 . . . . 0.0 110.097 176.844 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.35 -38.55 89.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.681 0.793 . . . . 0.0 110.9 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.54 92.32 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.862 0.865 . . . . 0.0 109.332 177.271 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -65.3 -44.24 88.54 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.225 0.92 . . . . 0.0 109.259 177.513 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.64 -49.16 78.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.253 1.821 . . . . 0.0 112.736 178.261 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -90.09 -14.25 34.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -177.183 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.06 -18.91 11.35 Favored Glycine 0 CA--C 1.546 1.978 0 C-N-CA 125.923 1.725 . . . . 0.0 115.497 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -140.61 -50.72 0.46 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.702 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.59 -61.81 6.67 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.68 1.61 . . . . 0.0 116.695 -177.069 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -86.77 -32.22 0.43 Allowed Pre-proline 0 N--CA 1.472 0.673 0 N-CA-C 117.149 2.278 . . . . 0.0 117.149 -178.003 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -85.07 0.55 8.83 Favored 'Trans proline' 0 CA--C 1.566 2.084 0 C-N-CA 123.08 2.52 . . . . 0.0 114.052 176.776 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.386 0 O-C-N 119.962 -1.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 p -58.9 -32.56 69.64 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -177.371 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -157.71 175.72 13.53 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 110.424 177.291 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 tp -62.57 -40.92 98.42 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.587 -0.695 . . . . 0.0 112.447 -178.508 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -62.86 -41.37 99.34 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.75 0.705 . . . . 0.0 111.175 176.179 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.2 p -66.25 -27.57 68.05 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.407 1.458 . . . . 0.0 109.352 176.902 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.94 74.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.626 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.39 -38.67 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.471 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -64.44 -30.7 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.363 1.065 . . . . 0.0 108.684 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.54 -47.09 43.9 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 107.609 -2.196 . . . . 0.0 107.609 177.206 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.89 -45.61 91.97 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.806 1.242 . . . . 0.0 108.43 176.549 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.17 -44.94 96.51 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.644 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.17 -38.75 87.6 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.81 0.844 . . . . 0.0 110.974 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -67.96 -48.67 65.23 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.044 1.338 . . . . 0.0 110.66 177.349 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -62.08 -36.53 81.95 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 119.83 1.195 . . . . 0.0 109.481 177.176 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.02 -38.43 85.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.837 0.855 . . . . 0.0 109.252 176.261 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -64.58 -43.27 94.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.449 1.5 . . . . 0.0 108.198 177.729 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.32 -45.78 86.41 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.324 1.05 . . . . 0.0 108.289 177.244 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.48 -47.73 84.86 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.099 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -62.64 -31.46 72.33 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 110.315 177.898 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -67.34 -46.3 73.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.553 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.21 -37.08 83.97 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.85 -39.55 94.73 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.042 1.292 . . . . 0.0 108.97 178.785 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.76 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.58 177.059 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.2 m -61.89 -39.35 91.66 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.317 -0.864 . . . . 0.0 111.551 177.279 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -62.87 -56.23 19.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.138 1.775 . . . . 0.0 110.989 177.296 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.1 p -69.17 -33.13 72.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 -9.47 59.6 Favored Glycine 0 CA--C 1.531 1.081 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.8 m -151.12 -46.09 0.12 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.345 1.573 . . . . 0.0 113.973 178.056 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.94 -40.25 81.18 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.372 0.987 . . . . 0.0 114.924 -177.91 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 p -91.47 -51.3 0.3 Allowed Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 125.953 1.701 . . . . 0.0 114.351 177.436 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.53 1.3 8.13 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 122.847 2.364 . . . . 0.0 115.123 177.861 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 119.8 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -67.5 -45.86 74.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 118.368 2.729 . . . . 0.0 118.368 -177.147 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -149.18 176.51 10.44 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.702 1.592 . . . . 0.0 110.972 177.972 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.74 -57.33 10.49 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.821 1.249 . . . . 0.0 112.933 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -57.46 -48.38 79.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.582 1.153 . . . . 0.0 112.161 178.373 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -67.46 -29.09 68.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.639 1.108 . . . . 0.0 112.016 178.103 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -42.57 77.26 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.069 1.304 . . . . 0.0 108.872 176.374 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.08 -45.24 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.246 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.01 -33.76 73.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.877 1.271 . . . . 0.0 109.782 178.136 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.18 57.37 Favored Glycine 0 N--CA 1.473 1.139 0 C-N-CA 125.732 1.634 . . . . 0.0 109.366 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.0 -43.4 95.21 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.262 1.031 . . . . 0.0 108.803 176.822 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.06 -43.13 96.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.98 0.912 . . . . 0.0 108.74 179.222 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.1 m -60.83 -41.48 95.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.741 0.816 . . . . 0.0 109.652 177.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -64.28 -46.69 82.56 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.436 1.494 . . . . 0.0 110.141 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.5 -41.47 94.36 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.85 1.204 . . . . 0.0 109.317 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.84 -42.05 97.68 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 118.864 0.756 . . . . 0.0 109.504 176.954 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.53 -41.56 94.72 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.813 1.245 . . . . 0.0 110.393 177.935 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.56 -45.55 89.97 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.511 1.125 . . . . 0.0 108.029 176.7 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -58.32 -48.54 80.22 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.028 0.931 . . . . 0.0 108.971 177.377 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.44 -35.28 75.46 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 124.416 1.086 . . . . 0.0 108.802 -178.793 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -62.42 -47.47 83.93 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.428 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -62.57 -37.13 84.98 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 118.532 -0.747 . . . . 0.0 111.532 176.691 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.65 -33.97 77.13 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 118.698 -0.668 . . . . 0.0 109.919 177.814 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.09 72.74 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.907 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -38.25 86.18 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 117.849 0.295 . . . . 0.0 110.254 177.725 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -62.04 -55.77 25.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.057 -1.027 . . . . 0.0 111.422 176.348 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -66.95 -27.21 67.28 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -178.41 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.95 -28.63 9.2 Favored Glycine 0 N--CA 1.477 1.431 0 CA-C-N 119.526 1.057 . . . . 0.0 114.175 -177.767 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -135.41 -45.25 0.69 Allowed 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.818 1.309 . . . . 0.0 113.388 -176.242 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.65 -51.51 32.81 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.986 1.755 . . . . 0.0 114.799 -177.081 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -95.23 -41.75 0.28 Allowed Pre-proline 0 N--CA 1.494 1.738 0 CA-C-O 116.033 -1.937 . . . . 0.0 114.869 177.947 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -67.98 7.55 0.59 Allowed 'Trans proline' 0 CA--C 1.574 2.51 0 C-N-CA 123.767 2.978 . . . . 0.0 116.329 176.535 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.08 0 CA-C-N 120.484 1.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 118.209 -0.9 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -64.26 -56.45 14.51 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -177.335 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -139.07 171.67 13.97 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.459 1.104 . . . . 0.0 111.2 176.255 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.23 -42.69 91.65 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -177.66 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -58.39 -50.11 74.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.401 1.001 . . . . 0.0 111.407 177.409 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.4 p -65.97 -33.29 75.47 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.366 -0.833 . . . . 0.0 110.604 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -40.25 88.07 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.772 0.715 . . . . 0.0 109.108 177.607 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.63 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.713 1.205 . . . . 0.0 108.206 177.338 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 tp -65.42 -34.67 78.84 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.62 -43.7 91.47 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 175.635 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.67 -42.59 99.71 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.73 1.212 . . . . 0.0 107.991 177.179 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.81 -46.69 88.45 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.79 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 m -60.52 -38.35 84.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.5 1.045 . . . . 0.0 110.61 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.71 -51.47 64.84 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.166 1.348 . . . . 0.0 109.658 177.458 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.16 -34.04 77.43 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.965 -1.084 . . . . 0.0 111.738 178.393 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.65 -39.53 84.6 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.458 1.103 . . . . 0.0 108.946 176.94 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -61.37 -45.16 95.54 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.591 1.156 . . . . 0.0 108.132 177.699 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -63.03 -49.73 73.46 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.761 0.824 . . . . 0.0 109.593 177.1 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.63 -46.14 81.15 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.057 1.343 . . . . 0.0 111.539 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -66.83 -27.48 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.213 1.005 . . . . 0.0 111.574 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -72.2 -41.84 66.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.259 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 177.181 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.32 -34.97 79.36 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.298 1.039 . . . . 0.0 109.396 -179.668 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.93 92.18 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.767 1.227 . . . . 0.0 108.117 178.338 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.4 m -67.51 -41.34 84.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.443 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 47.1 t30 -60.82 -53.87 52.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.309 1.444 . . . . 0.0 112.069 177.621 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -66.43 34.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 128.758 2.823 . . . . 0.0 115.066 178.469 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.29 -75.32 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 C-N-CA 126.729 2.109 . . . . 0.0 111.209 -179.254 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 m -85.25 -15.9 41.97 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.197 1.399 . . . . 0.0 114.575 -179.032 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . -86.89 -55.89 2.31 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 119.795 1.18 . . . . 0.0 114.463 -178.414 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -115.92 -46.39 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.118 0 N-CA-C 117.384 2.365 . . . . 0.0 117.384 -178.523 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.52 -16.5 52.66 Favored 'Trans proline' 0 CA--C 1.548 1.22 0 C-N-CA 123.455 2.77 . . . . 0.0 117.574 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.133 0 CA-C-N 119.906 1.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 116.959 -1.496 . . . . 0.0 108.392 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -61.84 -38.07 86.84 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.713 1.605 . . . . 0.0 114.779 -177.799 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -158.78 171.67 19.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.07 1.348 . . . . 0.0 109.189 -177.612 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.99 -48.17 80.81 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.262 -1.524 . . . . 0.0 112.667 -179.668 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -62.45 -41.01 98.43 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.205 0.911 . . . . 0.0 110.838 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -68.62 -30.65 69.42 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 120.4 1.455 . . . . 0.0 109.962 176.337 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -39.97 91.84 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.715 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -65.58 -45.97 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.88 -39.53 81.69 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.208 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.15 87.87 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 117.801 -1.555 . . . . 0.0 109.631 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.73 -42.85 97.83 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.738 1.269 . . . . 0.0 110.642 177.34 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.77 -42.18 98.65 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.462 1.028 . . . . 0.0 108.834 177.235 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -65.68 -33.21 75.36 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.559 -1.21 . . . . 0.0 109.56 177.298 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -72.72 -38.32 67.5 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.968 175.577 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.03 -38.68 91.97 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 121.162 1.801 . . . . 0.0 107.4 176.142 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.67 -41.89 87.44 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.488 -1.383 . . . . 0.0 108.423 177.441 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -63.09 -39.07 93.64 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.357 1.463 . . . . 0.0 108.722 177.932 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.26 -48.05 74.58 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.149 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.2 -39.36 89.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.679 177.367 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.25 -27.59 68.07 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.756 1.222 . . . . 0.0 110.208 176.822 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.1 m -69.3 -48.06 62.67 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.901 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.63 -33.23 75.46 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.823 -0.548 . . . . 0.0 110.87 177.121 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.37 -43.43 97.65 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.985 1.314 . . . . 0.0 108.747 176.757 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.35 96.28 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.069 0.85 . . . . 0.0 109.844 177.407 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.24 -46.71 87.63 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.44 -0.788 . . . . 0.0 110.295 177.371 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -58.21 -58.19 9.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.22 1.408 . . . . 0.0 112.619 179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.5 p -61.71 -5.15 1.76 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.645 2.378 . . . . 0.0 114.701 -176.54 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.35 -48.02 0.12 Allowed Glycine 0 CA--C 1.533 1.18 0 CA-C-N 119.982 1.265 . . . . 0.0 114.611 177.283 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -110.6 -2.83 16.22 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -178.321 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.58 -38.97 2.3 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -177.786 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.4 p -118.71 -45.21 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.39 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -68.09 -18.0 45.74 Favored 'Trans proline' 0 CA--C 1.547 1.155 0 C-N-CA 122.601 2.201 . . . . 0.0 114.001 179.072 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.727 0 CA-C-N 119.619 1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 117.783 -1.103 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -61.17 -28.27 69.01 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -177.794 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -162.0 177.13 10.05 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.723 1.609 . . . . 0.0 110.624 176.629 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.28 -46.38 83.17 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.308 -0.87 . . . . 0.0 111.879 177.947 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.78 -46.61 77.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.625 1.17 . . . . 0.0 112.066 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 p -66.99 -24.6 66.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.954 1.252 . . . . 0.0 110.942 176.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -37.73 64.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.511 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.02 -44.06 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.502 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.28 -46.25 83.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.562 1.545 . . . . 0.0 108.102 176.917 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.76 82.87 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.376 1.465 . . . . 0.0 110.024 179.111 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.5 -52.25 66.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.361 1.064 . . . . 0.0 109.936 177.551 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.52 -47.75 72.74 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.256 1.023 . . . . 0.0 111.304 178.153 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.4 m -63.02 -35.88 81.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.472 0.709 . . . . 0.0 111.463 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.84 -40.76 68.83 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.477 1.035 . . . . 0.0 109.511 177.654 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.49 -34.11 77.49 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 119.764 1.165 . . . . 0.0 108.412 177.427 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.25 -41.24 81.42 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.79 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.61 -39.48 91.41 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.163 0.985 . . . . 0.0 109.166 177.099 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -65.47 -43.68 89.5 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.464 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.62 -44.0 96.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.454 1.101 . . . . 0.0 108.989 178.649 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.29 -37.66 86.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.784 1.234 . . . . 0.0 108.939 177.108 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -67.33 -51.21 55.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.841 1.256 . . . . 0.0 108.993 178.438 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -58.12 -37.76 75.19 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.268 1.027 . . . . 0.0 110.732 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.49 -41.24 98.68 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.166 0.986 . . . . 0.0 109.658 177.733 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.02 78.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.377 1.071 . . . . 0.0 109.299 176.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.0 m -58.25 -44.67 88.43 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.712 -1.242 . . . . 0.0 110.274 177.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.77 -44.97 91.85 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.067 1.347 . . . . 0.0 112.726 178.639 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -74.87 -28.75 60.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -32.39 7.74 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 119.201 0.909 . . . . 0.0 115.336 -178.741 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -131.6 -33.21 1.44 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.92 -45.37 92.65 Favored Glycine 0 N--CA 1.47 0.952 0 CA-C-N 119.058 0.845 . . . . 0.0 114.176 -177.883 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.2 p -92.95 -44.26 0.33 Allowed Pre-proline 0 N--CA 1.476 0.832 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -179.045 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -76.77 5.15 5.06 Favored 'Trans proline' 0 CA--C 1.555 1.563 0 C-N-CA 123.646 2.897 . . . . 0.0 114.554 -179.418 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.279 0 CA-C-N 120.912 1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p -66.53 -29.54 69.65 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 178.949 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -161.18 179.08 8.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.808 1.643 . . . . 0.0 109.631 177.299 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.04 -45.67 86.62 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.036 -1.04 . . . . 0.0 111.763 177.599 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.74 -50.75 69.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.276 1.031 . . . . 0.0 111.906 177.789 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.0 p -67.44 -27.13 66.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.465 1.03 . . . . 0.0 111.652 177.442 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -44.97 68.03 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.634 1.106 . . . . 0.0 108.694 176.299 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.73 -38.95 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.476 1.11 . . . . 0.0 108.358 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.6 -38.04 89.62 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 121.075 -1.015 . . . . 0.0 108.416 178.044 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.65 -43.76 98.64 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 109.159 -1.577 . . . . 0.0 109.159 176.716 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.72 -46.02 87.32 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.055 -1.45 . . . . 0.0 108.343 176.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.9 -40.28 79.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.421 1.464 . . . . 0.0 110.118 177.759 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.0 m -64.65 -37.76 88.68 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.345 0.975 . . . . 0.0 109.199 177.512 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -68.27 -43.69 77.23 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.628 177.078 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.4 -36.16 79.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.041 1.292 . . . . 0.0 110.426 175.791 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -67.49 -44.17 79.16 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.099 0.96 . . . . 0.0 108.889 176.737 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -66.27 -36.66 83.56 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 120.221 1.373 . . . . 0.0 108.703 178.827 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.43 -46.23 87.28 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.018 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.94 -47.8 79.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.513 1.525 . . . . 0.0 109.989 177.41 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -60.51 -39.16 86.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.457 1.026 . . . . 0.0 110.824 176.948 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -65.82 -43.81 87.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.742 1.217 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -67.1 -40.35 86.87 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.649 -0.657 . . . . 0.0 109.257 177.488 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.77 -38.98 90.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.57 1.548 . . . . 0.0 109.596 177.7 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.85 87.97 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.61 0.764 . . . . 0.0 109.03 177.727 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 m -65.32 -44.02 89.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.453 1.101 . . . . 0.0 110.111 177.014 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -60.38 -56.24 23.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.075 2.15 . . . . 0.0 111.493 177.127 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.6 p -74.01 -30.42 62.44 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.908 1.283 . . . . 0.0 114.145 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.35 -11.15 54.89 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 116.584 1.394 . . . . 0.0 116.584 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.8 m -148.4 -47.49 0.15 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.854 -1.968 . . . . 0.0 114.168 177.578 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.05 -48.42 63.08 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.142 0.877 . . . . 0.0 114.58 -178.116 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 p -85.8 -48.28 0.56 Allowed Pre-proline 0 N--CA 1.477 0.901 0 CA-C-O 115.928 -1.987 . . . . 0.0 114.117 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.83 -12.16 34.49 Favored 'Trans proline' 0 CA--C 1.566 2.119 0 C-N-CA 122.618 2.212 . . . . 0.0 116.015 177.906 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.288 0 CA-C-N 120.161 1.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -77.99 -33.84 51.13 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -177.875 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -153.13 175.9 12.51 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.978 1.711 . . . . 0.0 110.664 -179.015 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.89 -43.42 94.79 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.061 179.459 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.61 -43.6 93.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.292 0.951 . . . . 0.0 111.75 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p -67.56 -33.32 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 110.093 177.395 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 -40.4 81.47 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.636 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.92 -46.26 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.338 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 tp -57.67 -43.0 84.7 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.924 1.238 . . . . 0.0 108.646 177.898 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.74 -44.08 98.37 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 177.29 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -62.79 -43.91 97.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.637 177.216 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.8 mt -58.42 -45.64 88.03 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.648 1.567 . . . . 0.0 109.388 177.053 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.34 -38.24 86.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.587 0.755 . . . . 0.0 110.879 176.875 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -68.55 -44.44 74.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.088 0.955 . . . . 0.0 109.894 177.581 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -40.2 95.23 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.504 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.59 -43.65 98.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.932 1.293 . . . . 0.0 109.02 177.204 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -58.54 -43.12 89.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.855 1.262 . . . . 0.0 109.135 177.295 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.63 -53.12 56.49 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.308 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.21 -48.84 67.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.38 1.472 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -56.96 -46.17 82.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.272 1.396 . . . . 0.0 111.248 177.288 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -65.33 -48.78 71.85 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.538 0.735 . . . . 0.0 111.227 178.588 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -58.14 -43.14 87.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.926 0.89 . . . . 0.0 109.863 177.598 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.16 -36.86 85.02 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 117.619 -1.181 . . . . 0.0 109.486 179.02 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.73 86.51 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.473 1.033 . . . . 0.0 109.898 176.316 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -61.76 -47.87 83.22 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.617 0.767 . . . . 0.0 110.078 177.183 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -56.31 -54.79 41.3 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.684 1.994 . . . . 0.0 112.338 177.499 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -76.12 -32.16 59.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.334 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.45 -22.45 29.16 Favored Glycine 0 CA--C 1.551 2.344 0 CA-C-O 116.849 -2.084 . . . . 0.0 117.166 -179.75 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -137.54 -29.46 0.87 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 179.933 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.74 -63.54 2.7 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.312 -0.868 . . . . 0.0 113.991 -177.493 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 p -67.71 -38.12 14.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -177.499 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -64.62 -12.16 32.36 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 122.848 2.365 . . . . 0.0 115.514 177.423 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.5 0 CA-C-N 121.168 1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.52 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -66.6 -57.32 7.47 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -178.472 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -133.88 169.56 16.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.778 0.831 . . . . 0.0 109.993 177.724 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.0 mt -59.86 -43.73 94.53 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.315 -0.865 . . . . 0.0 112.713 -177.388 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -61.13 -48.99 79.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.537 0.735 . . . . 0.0 111.712 177.754 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -63.16 -32.08 73.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.149 0.431 . . . . 0.0 110.611 177.114 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -44.15 70.34 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.174 -178.673 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.83 -53.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.038 1.335 . . . . 0.0 110.53 176.871 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.18 -43.54 92.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.125 0.97 . . . . 0.0 111.744 177.449 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.41 -46.33 94.08 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.99 1.281 . . . . 0.0 110.251 178.397 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.42 -42.51 98.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.92 177.518 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.27 -51.05 70.93 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.426 1.466 . . . . 0.0 108.843 176.936 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.3 -37.2 79.8 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.81 0.814 . . . . 0.0 109.178 -179.251 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.12 -42.25 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.051 -2.281 . . . . 0.0 110.423 179.58 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.09 -39.93 93.89 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.8 1.182 . . . . 0.0 108.237 177.577 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.38 -40.88 98.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.494 0.718 . . . . 0.0 110.205 176.395 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.77 -42.08 98.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.484 1.114 . . . . 0.0 108.682 176.604 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -63.46 -44.43 94.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.838 0.745 . . . . 0.0 109.114 177.253 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.57 -45.7 88.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 117.525 -1.226 . . . . 0.0 109.923 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -57.01 -52.33 65.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.845 1.202 . . . . 0.0 109.944 177.43 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -60.05 -46.89 88.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.287 1.035 . . . . 0.0 112.965 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.43 -42.99 98.69 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.885 -1.135 . . . . 0.0 110.928 177.391 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -63.74 -38.84 92.62 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.2 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.96 95.42 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.48 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 m -61.24 -45.98 92.3 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 0.0 110.264 176.896 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.72 -51.32 60.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.776 0.83 . . . . 0.0 112.953 178.406 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -69.04 -25.34 64.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.979 1.312 . . . . 0.0 113.912 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.56 -34.33 5.83 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.451 1.501 . . . . 0.0 115.457 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -123.83 2.52 8.79 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -178.422 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.68 -76.53 0.6 Allowed Glycine 0 N--CA 1.48 1.62 0 C-N-CA 124.909 1.243 . . . . 0.0 114.898 -178.546 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.4 p -57.68 -33.87 21.32 Favored Pre-proline 0 CA--C 1.552 1.049 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 178.745 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.39 -8.45 16.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.903 2.402 . . . . 0.0 116.718 177.895 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.397 0 CA-C-N 120.933 1.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 p -56.82 -45.22 82.46 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -177.246 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -150.07 176.08 11.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.149 0.98 . . . . 0.0 111.085 177.439 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.42 -40.88 92.59 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.638 -0.696 . . . . 0.0 112.685 -179.539 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -60.62 -48.69 80.66 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.223 0.92 . . . . 0.0 110.549 177.063 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.4 p -65.66 -27.64 68.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.854 0.752 . . . . 0.0 111.612 177.208 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -42.86 70.25 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 121.302 -0.873 . . . . 0.0 108.844 177.004 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.48 -42.87 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.648 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -59.23 -46.35 88.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.855 1.262 . . . . 0.0 108.642 177.181 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.56 -42.16 95.9 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.971 1.272 . . . . 0.0 111.097 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.03 -40.43 97.7 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.656 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.83 -41.18 95.95 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.524 1.056 . . . . 0.0 109.461 176.791 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.8 -39.94 95.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.518 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -62.59 -47.62 83.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.801 1.641 . . . . 0.0 109.647 177.194 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.99 -48.68 80.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.503 1.047 . . . . 0.0 109.134 177.078 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.11 -43.78 82.64 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.604 1.093 . . . . 0.0 111.439 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.39 -43.69 92.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.616 1.166 . . . . 0.0 110.192 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -64.0 -52.94 57.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.99 0.916 . . . . 0.0 109.282 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.91 -48.2 80.58 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -176.613 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -55.98 -45.05 79.09 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 120.044 1.293 . . . . 0.0 111.159 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.5 m -67.5 -44.64 77.97 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.004 -1.06 . . . . 0.0 111.223 178.373 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.0 -43.05 91.44 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 120.135 1.334 . . . . 0.0 110.593 177.418 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -61.69 -40.56 95.42 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.402 1.481 . . . . 0.0 110.015 177.41 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.9 -45.55 85.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.369 0.668 . . . . 0.0 110.686 176.691 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -60.64 -46.27 90.93 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.21 1.004 . . . . 0.0 109.06 179.232 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.76 -52.19 65.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.376 1.47 . . . . 0.0 112.519 179.058 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.2 p -71.38 -34.51 70.49 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -179.811 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.26 -30.85 11.49 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.757 1.17 . . . . 0.0 115.326 -177.479 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -136.31 -6.48 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -175.43 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.86 -46.87 1.56 Allowed Glycine 0 N--CA 1.48 1.603 0 CA-C-N 120.304 1.411 . . . . 0.0 115.541 -178.36 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 p -73.95 -32.88 1.6 Allowed Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -179.408 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.57 -25.19 65.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 123.134 2.556 . . . . 0.0 116.052 179.504 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.194 0 O-C-N 121.11 -0.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 p -88.07 -24.53 23.41 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -177.539 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -157.33 171.61 20.1 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.271 1.828 . . . . 0.0 109.263 177.451 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.03 -41.81 88.7 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.784 -1.197 . . . . 0.0 112.921 -178.007 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -62.24 -46.7 87.68 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.76 0.709 . . . . 0.0 110.821 177.228 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.1 p -68.63 -20.31 64.47 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.905 0.775 . . . . 0.0 110.275 177.143 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -42.33 60.71 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.798 -1.189 . . . . 0.0 107.843 177.996 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -61.69 -44.56 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 177.349 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.26 -46.68 89.35 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.263 1.425 . . . . 0.0 110.269 177.296 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -44.41 97.96 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 124.87 1.224 . . . . 0.0 111.87 177.377 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.99 -38.58 82.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.264 1.032 . . . . 0.0 110.569 176.843 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.33 -43.34 94.93 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.152 176.659 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -64.33 -36.65 84.83 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 118.871 0.759 . . . . 0.0 111.39 177.224 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -63.11 -52.69 61.61 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.823 1.249 . . . . 0.0 109.242 177.702 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -64.09 -34.32 77.78 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.208 -0.933 . . . . 0.0 110.925 177.345 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.8 -39.48 93.67 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.842 1.201 . . . . 0.0 109.32 177.805 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -63.97 -42.45 97.26 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.473 0.579 . . . . 0.0 109.939 176.871 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.02 -48.64 80.83 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 123.59 0.756 . . . . 0.0 109.704 176.606 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.25 -48.81 70.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.605 1.562 . . . . 0.0 111.038 177.761 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.39 -43.95 97.98 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.252 0.933 . . . . 0.0 111.401 177.902 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.5 m -62.61 -45.84 91.05 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.507 -1.371 . . . . 0.0 110.677 176.577 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -66.31 -31.9 72.97 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.803 -1.185 . . . . 0.0 111.739 177.265 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.48 -42.14 96.06 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.98 1.264 . . . . 0.0 108.684 176.902 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.06 89.62 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.179 0.592 . . . . 0.0 109.549 177.146 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -64.46 -41.4 96.54 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.1 0.96 . . . . 0.0 110.614 176.948 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.02 -49.43 67.74 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.982 1.713 . . . . 0.0 111.717 177.376 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -72.73 -32.67 65.87 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.755 0.822 . . . . 0.0 113.138 -179.763 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.41 -13.74 56.71 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.012 1.291 . . . . 0.0 114.493 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.9 m -146.99 -51.09 0.2 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.398 1.599 . . . . 0.0 113.536 177.73 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.74 -53.73 16.4 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 116.372 1.309 . . . . 0.0 116.372 -177.563 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.4 p -87.13 -43.25 0.53 Allowed Pre-proline 0 N--CA 1.477 0.899 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 -177.774 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.85 -13.79 14.19 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 CA-C-N 123.248 2.196 . . . . 0.0 114.978 179.664 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.33 0 CA-C-N 120.262 1.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 p -71.06 -53.9 13.05 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.349 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -139.77 173.48 11.48 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.953 1.301 . . . . 0.0 109.94 177.416 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.12 -44.23 97.1 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.511 -1.368 . . . . 0.0 113.293 -177.507 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -63.09 -44.16 96.49 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.88 176.874 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -66.94 -28.57 68.4 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.146 1.339 . . . . 0.0 110.947 176.903 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -42.8 82.94 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 177.621 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.07 -43.13 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.34 -41.67 80.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.457 1.503 . . . . 0.0 108.116 177.188 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.27 96.42 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 108.052 -2.019 . . . . 0.0 108.052 178.927 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.25 -37.91 87.27 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.585 1.192 . . . . 0.0 109.699 177.43 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.84 -46.86 87.65 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.164 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m -60.09 -35.79 75.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.005 0.522 . . . . 0.0 110.498 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -69.75 -44.17 70.75 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.407 1.083 . . . . 0.0 111.333 177.996 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.05 -38.9 92.74 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.025 1.284 . . . . 0.0 109.646 175.518 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -43.1 95.59 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 176.936 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -63.15 -36.55 83.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.873 0.869 . . . . 0.0 110.702 177.16 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.89 -47.41 85.89 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.568 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.76 -45.5 94.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.707 177.034 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -58.35 -46.65 85.85 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.369 0.986 . . . . 0.0 111.808 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.7 m -58.05 -56.0 27.66 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.453 1.101 . . . . 0.0 109.893 178.34 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -66.68 -28.39 68.41 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.222 0.919 . . . . 0.0 112.701 179.55 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 tp -69.36 -34.82 75.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.928 1.24 . . . . 0.0 108.049 176.687 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.69 78.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.638 1.175 . . . . 0.0 108.09 176.579 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.2 m -62.01 -41.41 98.04 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.366 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.25 -55.42 21.62 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.721 1.608 . . . . 0.0 111.597 177.994 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -69.9 -28.4 65.59 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.58 1.152 . . . . 0.0 113.811 -178.103 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -27.01 13.79 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-N 119.202 0.91 . . . . 0.0 115.075 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -137.05 -47.44 0.59 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.901 1.35 . . . . 0.0 113.477 -177.85 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.53 -14.09 26.45 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.69 1.614 . . . . 0.0 117.021 -177.941 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.2 p -123.79 -45.76 0.04 OUTLIER Pre-proline 0 N--CA 1.472 0.633 0 CA-C-O 116.975 -1.488 . . . . 0.0 113.385 176.806 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -72.78 -13.89 26.87 Favored 'Trans proline' 0 CA--C 1.553 1.433 0 CA-C-N 123.033 2.119 . . . . 0.0 114.817 176.78 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.115 0 CA-C-N 119.873 1.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -67.68 -35.09 78.21 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 117.156 2.28 . . . . 0.0 117.156 -177.107 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -157.86 174.8 14.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.301 1.441 . . . . 0.0 110.815 178.011 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -56.56 -50.84 70.72 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 120.762 -1.211 . . . . 0.0 112.636 179.051 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -60.63 -43.81 97.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 117.638 -1.173 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 p -67.39 -29.29 68.76 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.897 1.68 . . . . 0.0 110.49 177.679 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -40.9 80.44 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 119.847 1.203 . . . . 0.0 108.336 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.65 -42.36 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 O-C-N 120.418 -1.426 . . . . 0.0 108.003 177.26 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -61.68 -36.97 82.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.077 1.351 . . . . 0.0 107.925 177.854 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -43.31 86.8 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 127.113 2.292 . . . . 0.0 109.528 178.185 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.31 -52.38 65.9 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.214 1.507 . . . . 0.0 108.342 177.368 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.74 -41.54 91.17 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.228 0.467 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.1 m -60.73 -42.61 97.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.457 0.703 . . . . 0.0 110.861 177.198 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 117.98 -1.009 . . . . 0.0 111.504 177.297 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.47 -39.95 92.58 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.237 1.381 . . . . 0.0 107.725 176.966 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.616 -1.302 . . . . 0.0 107.898 176.069 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.37 -38.39 89.38 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.151 0.98 . . . . 0.0 109.965 178.098 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.51 -46.72 87.16 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 176.577 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.06 -39.01 88.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.799 -1.096 . . . . 0.0 110.901 176.88 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -60.74 -47.77 84.8 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.247 1.385 . . . . 0.0 109.418 176.604 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 m -61.93 -55.06 33.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 177.222 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -59.72 -36.21 76.11 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.851 0.86 . . . . 0.0 112.829 179.11 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.35 -33.98 72.1 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.505 1.048 . . . . 0.0 108.671 177.532 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.19 -42.09 89.33 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 176.722 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -63.08 -43.12 99.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.283 1.033 . . . . 0.0 109.651 177.705 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.27 -53.7 53.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.33 1.452 . . . . 0.0 112.397 176.167 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -69.96 -36.15 75.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.647 1.179 . . . . 0.0 113.656 -177.974 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.53 -4.18 58.26 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.788 1.475 . . . . 0.0 116.788 -178.045 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.6 m -152.67 -42.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.75 1.775 . . . . 0.0 114.791 177.063 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.45 96.39 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.004 1.288 . . . . 0.0 115.66 -177.217 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.3 p -95.88 -39.37 0.28 Allowed Pre-proline 0 N--CA 1.479 0.986 0 CA-C-O 116.288 -1.815 . . . . 0.0 114.414 177.371 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -66.05 -17.26 54.84 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 C-N-CA 123.975 3.117 . . . . 0.0 114.704 176.383 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.315 0 CA-C-N 120.984 1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 p -56.29 -58.94 5.84 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -176.925 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -137.91 170.09 16.66 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.132 0.878 . . . . 0.0 110.747 176.856 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -42.22 90.44 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -177.267 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -62.71 -47.27 84.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.835 1.198 . . . . 0.0 111.314 177.229 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p -65.76 -30.39 71.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.303 -0.873 . . . . 0.0 110.771 177.184 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -46.89 73.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.532 0.733 . . . . 0.0 109.831 177.157 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.11 -48.52 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 118.301 -0.857 . . . . 0.0 108.908 177.234 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.7 tp -55.55 -41.61 73.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.84 0.746 . . . . 0.0 110.691 177.69 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.82 93.18 Favored Glycine 0 N--CA 1.477 1.374 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 177.043 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.17 -41.37 97.17 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.465 178.341 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.01 -43.93 98.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.541 1.064 . . . . 0.0 109.282 177.033 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.6 m -62.72 -34.06 76.39 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.381 0.672 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -70.98 -40.57 71.84 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.106 0.962 . . . . 0.0 110.615 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.96 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 120.62 1.555 . . . . 0.0 108.279 175.886 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.99 -42.6 97.16 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.375 1.07 . . . . 0.0 108.897 176.499 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -61.56 -42.53 98.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.831 1.252 . . . . 0.0 109.677 176.997 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -60.17 -50.95 71.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.357 1.063 . . . . 0.0 108.582 176.976 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.21 -47.53 78.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.467 1.107 . . . . 0.0 110.785 177.418 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -58.24 -50.14 74.62 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 111.503 177.4 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -61.28 -54.01 49.5 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.701 0.801 . . . . 0.0 111.033 177.242 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -63.87 -28.7 70.02 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.144 -0.931 . . . . 0.0 112.578 -178.44 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 tp -68.04 -38.44 82.51 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.62 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.02 89.84 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.688 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.6 m -61.84 -45.52 93.45 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.565 -0.709 . . . . 0.0 109.337 177.264 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.71 -51.01 71.19 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.314 -1.491 . . . . 0.0 112.364 177.452 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 p -72.28 -29.02 63.48 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -177.911 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.57 -19.89 8.06 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -178.097 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -129.52 -34.66 1.78 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -178.937 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.33 -59.99 3.41 Favored Glycine 0 N--CA 1.471 0.995 0 C-N-CA 125.346 1.451 . . . . 0.0 113.773 -179.338 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.0 p -72.12 -42.35 9.4 Favored Pre-proline 0 N--CA 1.472 0.644 0 CA-C-O 116.227 -1.844 . . . . 0.0 114.051 178.202 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -74.82 1.09 8.01 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.896 2.397 . . . . 0.0 114.961 177.292 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 120.567 1.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 117.889 -1.053 . . . . 0.0 108.652 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -80.83 -54.61 5.45 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 120.294 1.406 . . . . 0.0 114.573 -177.463 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -136.16 173.56 11.58 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.8 1.24 . . . . 0.0 110.189 -178.505 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.38 -50.79 70.56 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.298 -1.501 . . . . 0.0 112.293 -177.835 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -60.16 -45.97 91.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.367 0.985 . . . . 0.0 111.257 -179.369 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -64.84 -30.34 71.34 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.664 -1.272 . . . . 0.0 110.569 176.967 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -38.76 73.68 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.448 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.56 -49.7 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.521 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.33 -28.67 70.16 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.605 -0.684 . . . . 0.0 109.985 179.204 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.83 -44.97 60.13 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 126.984 2.231 . . . . 0.0 108.543 176.774 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.43 -45.61 83.17 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.01 -44.61 91.73 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.016 177.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -60.7 -38.74 86.04 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.126 0.97 . . . . 0.0 111.047 175.949 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -67.3 -41.95 84.53 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.854 1.262 . . . . 0.0 109.306 178.013 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.32 -42.03 99.04 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.253 1.388 . . . . 0.0 108.493 176.743 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.1 -44.13 97.83 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.825 -1.172 . . . . 0.0 109.499 176.625 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.47 -37.43 85.92 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 179.016 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.01 -50.31 71.24 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.149 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.84 -47.69 79.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.118 0.967 . . . . 0.0 110.792 178.053 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.35 -38.36 74.03 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 111.439 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -54.2 17.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.704 0.801 . . . . 0.0 109.984 176.859 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -57.73 -28.85 64.25 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.911 1.684 . . . . 0.0 113.222 179.088 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.25 -44.9 93.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.7 1.2 . . . . 0.0 109.091 176.583 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.57 -43.55 69.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.625 1.17 . . . . 0.0 108.972 177.532 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -58.75 -43.12 90.18 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.404 -0.81 . . . . 0.0 110.021 177.729 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.4 -53.56 54.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.793 1.637 . . . . 0.0 111.168 177.803 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -72.13 -23.5 61.32 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -177.326 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.97 -25.17 6.26 Favored Glycine 0 N--CA 1.474 1.172 0 N-CA-C 117.617 1.807 . . . . 0.0 117.617 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 m -137.77 -23.5 1.06 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.412 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.7 -54.32 3.3 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-N 120.234 1.379 . . . . 0.0 114.09 -178.709 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.6 p -53.16 -43.72 95.54 Favored Pre-proline 0 N--CA 1.481 1.091 0 CA-C-O 116.296 -1.812 . . . . 0.0 114.804 178.903 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.33 -9.05 18.85 Favored 'Trans proline' 0 CA--C 1.562 1.921 0 C-N-CA 122.637 2.224 . . . . 0.0 113.064 177.695 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.033 0 O-C-N 118.583 -2.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p -59.56 -60.5 3.75 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.763 1.625 . . . . 0.0 115.012 -177.576 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -129.24 157.84 40.72 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.251 -0.906 . . . . 0.0 111.247 178.291 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -55.75 -54.0 49.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.788 1.235 . . . . 0.0 113.773 -177.52 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -54.0 -53.44 52.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.59 1.156 . . . . 0.0 112.375 -178.338 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.7 p -65.36 -29.71 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 119.179 -0.439 . . . . 0.0 111.757 176.911 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.68 -39.84 95.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.866 0.757 . . . . 0.0 111.186 177.228 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.48 -45.84 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.591 1.087 . . . . 0.0 109.439 177.391 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.43 -41.08 88.75 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.443 1.097 . . . . 0.0 111.12 176.751 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.8 89.04 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.171 1.367 . . . . 0.0 110.393 178.339 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -59.86 -49.45 77.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.787 177.178 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.38 -43.58 75.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.507 0.723 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -62.52 -41.18 98.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.624 0.77 . . . . 0.0 111.641 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -67.9 -42.69 80.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.555 1.142 . . . . 0.0 110.676 177.794 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.3 -36.92 85.68 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.007 -1.058 . . . . 0.0 109.079 176.939 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.46 -41.55 93.26 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.562 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -62.89 -34.6 77.74 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.888 -1.757 . . . . 0.0 109.895 177.093 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.78 -45.64 81.7 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 119.491 -2.006 . . . . 0.0 106.967 176.883 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.56 -41.12 89.43 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.244 1.384 . . . . 0.0 109.865 177.077 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.2 -37.87 88.93 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.457 1.026 . . . . 0.0 110.606 176.294 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -65.51 -49.89 67.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.237 -1.539 . . . . 0.0 109.658 176.118 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -56.54 -42.34 78.31 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.19 0.996 . . . . 0.0 109.582 178.001 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.4 -39.64 92.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.244 1.418 . . . . 0.0 107.365 -178.025 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -47.66 75.88 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 119.384 0.993 . . . . 0.0 109.464 177.377 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -59.31 -45.95 89.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.78 0.832 . . . . 0.0 109.493 178.135 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.26 -57.15 14.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.741 1.616 . . . . 0.0 112.095 177.985 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -69.08 -25.9 64.67 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -177.872 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.33 7.5 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 115.866 1.106 . . . . 0.0 115.866 -177.435 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -134.18 -40.51 0.83 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -176.944 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.84 -31.8 64.41 Favored Glycine 0 N--CA 1.477 1.425 0 CA-C-O 118.907 -0.941 . . . . 0.0 115.426 -177.787 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 p -79.3 -47.32 1.59 Allowed Pre-proline 0 N--CA 1.473 0.721 0 CA-C-O 115.714 -2.089 . . . . 0.0 112.325 178.025 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -64.03 -32.18 65.0 Favored 'Trans proline' 0 CA--C 1.555 1.531 0 C-N-CA 122.471 2.114 . . . . 0.0 112.701 176.153 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.814 0 CA-C-N 120.355 1.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -60.83 -46.22 91.41 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -177.104 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -148.3 174.02 12.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.012 0.925 . . . . 0.0 111.221 177.474 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.19 -49.21 77.82 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.391 -0.818 . . . . 0.0 111.613 -177.527 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -60.56 -45.39 94.09 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.809 1.244 . . . . 0.0 111.336 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -66.15 -31.17 71.86 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.166 0.893 . . . . 0.0 111.257 177.011 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -46.61 68.61 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.537 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.61 -52.14 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 117.889 -1.053 . . . . 0.0 109.888 178.393 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.93 -40.46 76.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 120.004 1.275 . . . . 0.0 110.784 177.986 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -50.08 62.99 Favored Glycine 0 CA--C 1.554 2.484 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.18 -51.51 69.27 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.03 177.495 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -52.62 -46.0 66.84 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.431 1.469 . . . . 0.0 111.152 178.565 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -63.13 -41.12 99.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.887 . . . . 0.0 111.134 177.308 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.98 -40.67 91.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.217 1.007 . . . . 0.0 110.721 177.224 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.03 -43.64 91.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.328 1.051 . . . . 0.0 108.909 177.389 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.99 -42.73 94.86 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.33 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.42 -40.04 92.96 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 124.299 1.039 . . . . 0.0 109.741 177.314 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.59 -42.66 99.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 117.817 -1.087 . . . . 0.0 108.608 177.527 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.29 -43.03 92.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.966 0.803 . . . . 0.0 109.823 177.904 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -55.39 -51.05 68.09 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -64.74 -47.19 79.13 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.153 0.981 . . . . 0.0 109.354 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -54.4 -44.08 72.03 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.348 1.059 . . . . 0.0 111.83 177.719 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.05 -50.21 74.94 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.154 0.982 . . . . 0.0 109.386 178.32 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.79 98.24 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.877 0.471 . . . . 0.0 112.057 177.969 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -62.57 -37.93 88.11 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.289 -0.882 . . . . 0.0 110.354 177.078 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -64.39 -48.4 75.57 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.952 -1.717 . . . . 0.0 112.445 178.0 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -76.42 -31.81 58.13 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.34 1.427 . . . . 0.0 113.826 177.992 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -7.97 54.69 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 118.051 1.98 . . . . 0.0 118.051 -176.725 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -146.4 -36.74 0.25 Allowed 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 178.381 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.91 -61.68 3.01 Favored Glycine 0 N--CA 1.467 0.725 0 CA-C-N 119.281 0.946 . . . . 0.0 113.988 -178.705 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.7 p -70.08 -37.04 6.9 Favored Pre-proline 0 N--CA 1.479 0.988 0 CA-C-O 116.096 -1.907 . . . . 0.0 115.157 -176.767 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -63.68 -28.92 69.17 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 CA-C-N 123.735 2.37 . . . . 0.0 113.761 177.291 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.24 0 CA-C-N 120.052 1.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 118.166 -0.921 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 p -61.1 -35.78 77.92 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -178.898 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -159.51 172.18 18.34 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.924 1.29 . . . . 0.0 110.98 178.883 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.24 -42.65 91.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 179.903 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -61.22 -45.57 94.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.877 177.509 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -65.38 -28.59 69.37 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.91 1.686 . . . . 0.0 110.248 177.457 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -43.93 70.17 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.609 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.86 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 120.042 1.292 . . . . 0.0 108.085 177.535 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.8 -43.33 94.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.734 1.614 . . . . 0.0 108.203 178.05 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -44.92 92.39 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 178.308 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -58.35 -53.62 56.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.09 -1.433 . . . . 0.0 110.033 176.864 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -53.77 -46.7 71.05 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.211 1.368 . . . . 0.0 110.946 176.807 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.6 m -62.0 -36.79 82.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.404 178.163 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -75.76 -29.27 58.77 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -69.55 -36.82 76.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 177.298 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.45 -39.68 85.36 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 176.484 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -66.02 -35.27 80.09 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.55 1.068 . . . . 0.0 108.823 176.927 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -65.04 -41.78 94.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 -179.189 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.92 -42.09 88.86 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 177.958 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -61.37 -47.92 83.63 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.586 -1.321 . . . . 0.0 108.645 -179.422 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.0 m -60.99 -48.83 79.99 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 124.85 1.26 . . . . 0.0 110.759 176.233 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -61.22 -42.95 99.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.565 1.546 . . . . 0.0 110.894 178.168 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.6 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.294 1.406 . . . . 0.0 109.024 177.416 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.1 87.64 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.051 0.841 . . . . 0.0 109.909 177.649 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.1 m -66.94 -47.05 72.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.195 0.998 . . . . 0.0 110.149 177.506 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.05 -55.41 35.44 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.718 2.807 . . . . 0.0 111.972 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -70.77 -36.66 73.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.8 -40.77 8.59 Favored Glycine 0 CA--C 1.554 2.473 0 N-CA-C 120.043 2.777 . . . . 0.0 120.043 179.243 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.2 m -125.38 -22.81 4.25 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -177.181 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.16 -3.6 65.27 Favored Glycine 0 CA--C 1.551 2.325 0 N-CA-C 119.159 2.424 . . . . 0.0 119.159 -177.583 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.2 p -134.85 -40.07 0.02 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 CA-C-O 114.601 -2.619 . . . . 0.0 116.766 178.469 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.85 -37.4 93.96 Favored 'Trans proline' 0 CA--C 1.558 1.706 0 CA-C-N 123.102 2.144 . . . . 0.0 113.868 179.316 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.395 0 CA-C-N 119.988 1.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 p -56.98 -44.14 82.39 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -177.147 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -153.97 175.82 12.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.85 1.26 . . . . 0.0 111.334 178.788 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.15 -49.73 76.48 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.274 0.63 . . . . 0.0 112.588 -178.362 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -56.55 -47.69 78.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.88 1.272 . . . . 0.0 111.736 178.328 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.8 p -65.15 -32.65 74.45 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.056 178.366 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -40.91 85.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.801 0.84 . . . . 0.0 109.915 177.193 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.71 -50.67 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.2 1.4 . . . . 0.0 108.159 177.71 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.86 -51.38 63.81 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.627 1.571 . . . . 0.0 110.803 177.268 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.96 98.69 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 117.944 -1.476 . . . . 0.0 112.682 178.216 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.29 -43.6 97.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 116.46 -1.733 . . . . 0.0 110.987 177.039 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.92 -39.57 81.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 117.236 -1.364 . . . . 0.0 107.892 178.355 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.9 m -66.79 -35.91 81.17 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 116.053 -1.927 . . . . 0.0 107.534 -177.664 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -71.97 -33.11 67.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.475 1.489 . . . . 0.0 110.405 177.575 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -68.91 -38.58 79.68 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.051 1.751 . . . . 0.0 106.616 177.697 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.7 mt -66.9 -36.35 82.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.192 1.397 . . . . 0.0 108.014 177.642 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -65.52 -40.24 92.72 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.124 -1.61 . . . . 0.0 108.048 179.066 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.91 -45.25 94.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.227 177.188 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.29 -40.39 81.81 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.239 1.016 . . . . 0.0 109.753 176.856 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -65.2 -40.27 93.96 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.601 1.091 . . . . 0.0 108.21 178.07 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -64.12 -46.21 85.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.06 -1.025 . . . . 0.0 108.804 178.103 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -57.9 -43.84 86.4 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.577 1.08 . . . . 0.0 110.87 177.658 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.82 -39.43 94.27 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.3 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.49 83.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.644 1.111 . . . . 0.0 109.599 177.066 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.3 m -66.54 -41.59 88.49 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.679 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.51 -52.86 61.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.389 1.076 . . . . 0.0 113.092 178.003 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.3 p -65.54 -43.66 89.23 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -179.34 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.55 -24.47 12.21 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.992 1.957 . . . . 0.0 117.992 -177.578 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -123.67 -14.67 7.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 118.188 2.662 . . . . 0.0 118.188 -178.971 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.22 -34.51 2.51 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 120.009 2.763 . . . . 0.0 120.009 177.693 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -89.78 -27.41 0.32 Allowed Pre-proline 0 CA--C 1.553 1.063 0 N-CA-C 119.414 3.116 . . . . 0.0 119.414 179.532 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -66.24 -19.7 56.22 Favored 'Trans proline' 0 CA--C 1.553 1.425 0 C-N-CA 123.402 2.735 . . . . 0.0 114.42 175.548 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.378 1.811 0 CA-C-N 121.659 2.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 118.178 -0.915 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -64.09 -45.34 89.14 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -176.116 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -150.18 173.18 14.21 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.72 -1.237 . . . . 0.0 110.779 177.561 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.54 -48.96 76.18 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.072 0.851 . . . . 0.0 113.032 -178.129 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -56.98 -49.53 75.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.666 1.187 . . . . 0.0 112.196 177.795 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -67.34 -31.26 71.41 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.744 0.702 . . . . 0.0 110.561 177.449 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -38.23 86.7 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.981 0.81 . . . . 0.0 110.136 176.632 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.11 -44.99 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.904 1.229 . . . . 0.0 109.25 176.552 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.62 -44.75 93.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.347 0.659 . . . . 0.0 110.776 177.508 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -50.41 66.4 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.726 1.155 . . . . 0.0 111.248 176.311 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.69 -47.42 84.58 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.727 1.211 . . . . 0.0 110.516 176.816 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.6 -50.97 64.5 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.883 1.22 . . . . 0.0 109.455 177.618 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.6 m -64.96 -34.33 78.16 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.717 178.619 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -71.7 -35.01 70.11 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.163 1.347 . . . . 0.0 110.36 176.906 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -68.94 -39.29 79.65 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.234 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.58 -34.7 78.86 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.719 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -62.77 -46.22 89.02 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.494 -1.379 . . . . 0.0 108.393 175.847 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.03 -47.72 84.2 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.807 0.843 . . . . 0.0 109.127 176.803 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.61 -46.74 77.29 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 117.538 -1.22 . . . . 0.0 109.997 177.369 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.43 -38.01 88.08 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.211 0.914 . . . . 0.0 110.213 177.206 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -62.92 -47.38 83.5 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.895 1.225 . . . . 0.0 109.71 178.067 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -60.95 -52.23 65.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.02 0.928 . . . . 0.0 111.219 177.444 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -60.48 -43.03 97.38 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.857 1.263 . . . . 0.0 112.502 179.348 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.66 99.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.802 0.841 . . . . 0.0 110.402 177.429 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -65.47 -45.0 85.42 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.847 0.459 . . . . 0.0 110.651 177.115 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.0 -49.51 75.76 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 112.833 178.272 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.6 p -72.35 -45.55 59.4 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.338 1.055 . . . . 0.0 112.873 179.098 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.5 -16.55 80.19 Favored Glycine 0 CA--C 1.544 1.854 0 N-CA-C 116.31 1.284 . . . . 0.0 116.31 -177.548 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 m -153.69 -37.71 0.1 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 178.199 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.39 -16.62 63.04 Favored Glycine 0 CA--C 1.543 1.819 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 -177.507 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.8 p -110.66 -45.09 0.09 OUTLIER Pre-proline 0 CA--C 1.553 1.068 0 CA-C-O 116.563 -1.684 . . . . 0.0 112.648 179.665 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.78 -14.95 40.12 Favored 'Trans proline' 0 CA--C 1.56 1.815 0 C-N-CA 123.033 2.489 . . . . 0.0 113.172 179.83 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.056 0 CA-C-N 120.295 1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -61.41 -56.85 15.63 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -177.325 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -140.95 174.21 10.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.786 1.234 . . . . 0.0 111.216 177.654 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.37 -48.88 79.95 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.256 -0.902 . . . . 0.0 112.933 -177.522 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -58.06 -47.91 81.73 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.618 -0.706 . . . . 0.0 111.686 177.265 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -66.04 -28.1 68.6 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.695 1.134 . . . . 0.0 110.754 177.026 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -41.99 79.12 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.168 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.94 -41.59 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 177.272 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.07 -41.01 97.71 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.469 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.0 -47.02 92.21 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 107.611 -2.196 . . . . 0.0 107.611 178.618 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.41 -42.96 99.57 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 116.68 -1.628 . . . . 0.0 108.581 178.965 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.48 -44.78 95.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.859 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.42 -36.19 81.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.916 -0.564 . . . . 0.0 110.857 176.873 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.1 -39.62 78.87 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.797 1.239 . . . . 0.0 109.353 176.734 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.48 -39.4 85.23 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 179.352 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.26 -43.93 95.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.375 1.07 . . . . 0.0 109.418 175.48 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.49 -39.59 93.95 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.474 1.109 . . . . 0.0 110.664 177.138 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -61.72 -43.7 98.34 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.954 -1.091 . . . . 0.0 109.126 176.821 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.11 -47.86 81.95 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.783 0.72 . . . . 0.0 109.73 177.379 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.52 -40.47 87.24 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.583 0.629 . . . . 0.0 111.331 177.227 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -64.58 -48.16 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.037 1.335 . . . . 0.0 111.123 178.093 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -59.13 -52.07 67.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.514 1.126 . . . . 0.0 109.785 177.276 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.65 -54.41 41.99 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.948 1.299 . . . . 0.0 112.277 178.815 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.47 70.49 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 178.04 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.6 m -70.42 -39.82 74.18 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.552 -0.717 . . . . 0.0 110.438 177.394 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.79 -45.57 74.41 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.07 1.348 . . . . 0.0 112.905 179.819 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.9 p -71.8 -20.54 61.84 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.359 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.82 -72.7 1.19 Allowed Glycine 0 CA--C 1.551 2.305 0 C-N-CA 124.324 0.964 . . . . 0.0 113.11 178.615 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -97.64 -19.72 18.1 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.4 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.14 -23.26 59.43 Favored Glycine 0 N--CA 1.478 1.48 0 N-CA-C 117.811 1.884 . . . . 0.0 117.811 -177.183 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -49.8 0.21 Allowed Pre-proline 0 CA--C 1.555 1.171 0 CA-C-O 115.941 -1.98 . . . . 0.0 115.485 -177.566 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -65.53 -19.96 60.56 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.355 2.037 . . . . 0.0 115.92 -178.931 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.325 0 CA-C-N 119.645 1.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 p -73.71 -41.73 62.17 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -177.758 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -152.25 176.88 11.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.272 1.429 . . . . 0.0 110.766 -177.36 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.9 -51.39 67.78 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.68 -179.754 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -55.15 -49.93 70.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 112.028 -179.224 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -64.53 -31.17 72.27 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.874 0.761 . . . . 0.0 110.635 178.683 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -39.0 84.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.278 -0.889 . . . . 0.0 109.783 176.88 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 t -64.3 -47.16 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 119.622 1.101 . . . . 0.0 108.662 177.37 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.43 -41.6 76.68 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.521 1.128 . . . . 0.0 112.31 177.023 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.75 48.22 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.09 0.852 . . . . 0.0 111.502 176.519 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.93 -44.62 87.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.498 1.119 . . . . 0.0 111.142 177.842 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.38 -46.24 91.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.541 0.737 . . . . 0.0 109.487 177.374 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 m -58.27 -38.07 76.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.762 0.825 . . . . 0.0 110.906 177.379 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -66.98 -42.51 84.96 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.498 0.719 . . . . 0.0 109.734 177.87 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.22 -39.66 94.44 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.772 -1.205 . . . . 0.0 109.577 177.497 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.05 -43.99 94.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.082 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.74 -41.3 99.12 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.972 178.994 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.55 -46.69 88.17 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.748 1.158 . . . . 0.0 110.294 177.132 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.98 -43.33 86.45 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 110.94 176.288 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.18 -41.21 99.17 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.404 0.682 . . . . 0.0 110.969 177.354 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -64.13 -45.15 89.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.936 0.789 . . . . 0.0 110.736 176.752 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -60.32 -51.42 69.59 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 123.18 0.592 . . . . 0.0 110.382 177.26 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.9 mt -59.13 -44.63 92.04 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.017 1.327 . . . . 0.0 112.84 178.656 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.99 87.72 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 118.858 0.754 . . . . 0.0 110.92 176.758 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 m -72.67 -33.13 66.34 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.095 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.47 -44.04 92.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.09 1.356 . . . . 0.0 111.621 176.915 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -76.61 -34.79 58.35 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.715 0.688 . . . . 0.0 111.582 177.727 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.58 -25.21 59.13 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 115.455 0.942 . . . . 0.0 115.455 -179.174 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -152.11 -37.73 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.92 1.86 . . . . 0.0 114.379 -178.726 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.88 -31.54 72.33 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 -176.865 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.7 p -102.32 -41.9 0.2 Allowed Pre-proline 0 N--CA 1.483 1.201 0 CA-C-O 116.384 -1.77 . . . . 0.0 112.758 178.802 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -69.83 -6.2 18.06 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.766 2.31 . . . . 0.0 114.326 178.236 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 120.198 1.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 117.858 -1.068 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -72.67 -28.66 62.84 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 116.577 2.065 . . . . 0.0 116.577 -177.247 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -161.71 175.91 11.5 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.219 1.807 . . . . 0.0 110.066 175.583 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.56 -49.07 77.58 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.407 -0.808 . . . . 0.0 112.957 178.735 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -57.64 -48.21 80.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.661 0.784 . . . . 0.0 110.974 178.505 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -65.1 -29.54 70.41 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.723 177.72 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.64 78.59 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 119.992 1.269 . . . . 0.0 109.106 177.339 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.6 -42.11 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.747 -1.221 . . . . 0.0 108.479 176.781 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.24 -40.64 94.77 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.985 -1.072 . . . . 0.0 109.268 176.81 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.33 98.15 Favored Glycine 0 CA--C 1.541 1.658 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 177.115 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -47.42 84.79 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.951 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.8 -44.5 90.8 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.226 1.01 . . . . 0.0 110.559 176.939 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -56.9 -44.85 82.78 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.145 0.978 . . . . 0.0 111.723 175.515 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.05 -49.46 74.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.291 1.436 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -61.47 -42.41 98.74 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.227 0.921 . . . . 0.0 110.553 177.062 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.61 -38.55 88.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -65.71 -41.48 92.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -178.561 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.65 -51.85 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 119.127 0.876 . . . . 0.0 109.009 176.377 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.74 -47.6 79.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.739 0.816 . . . . 0.0 110.677 177.209 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -60.72 -37.41 81.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.315 1.046 . . . . 0.0 110.944 177.345 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -67.16 -47.73 70.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.487 1.515 . . . . 0.0 109.343 177.284 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -60.47 -44.9 95.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.413 -0.804 . . . . 0.0 109.822 177.436 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -58.92 -52.67 64.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.966 1.306 . . . . 0.0 110.472 177.161 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.36 78.44 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.98 0.895 . . . . 0.0 112.68 177.434 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -67.92 -38.65 83.16 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 176.672 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.18 -42.0 80.62 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.283 -1.511 . . . . 0.0 111.501 178.056 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -72.16 -36.13 69.21 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.958 1.254 . . . . 0.0 113.319 178.057 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.81 -16.45 51.63 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.199 1.64 . . . . 0.0 117.199 -179.134 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -139.48 -48.87 0.48 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.079 1.352 . . . . 0.0 114.644 178.525 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.27 -42.94 74.89 Favored Glycine 0 N--CA 1.47 0.941 0 N-CA-C 117.774 1.87 . . . . 0.0 117.774 -177.987 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 p -92.28 -43.9 0.35 Allowed Pre-proline 0 N--CA 1.489 1.516 0 CA-C-O 116.663 -1.637 . . . . 0.0 114.361 177.949 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -60.17 -26.03 81.48 Favored 'Trans proline' 0 CA--C 1.57 2.31 0 C-N-CA 123.716 2.944 . . . . 0.0 115.85 175.895 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 120.561 -1.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -70.64 -26.17 63.34 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -176.902 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -161.48 177.04 10.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.036 1.735 . . . . 0.0 110.169 176.976 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.83 -44.75 93.88 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.273 -0.892 . . . . 0.0 112.269 179.299 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -62.08 -45.52 93.16 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.167 0.894 . . . . 0.0 111.213 177.431 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.5 p -63.61 -28.91 70.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.678 1.581 . . . . 0.0 110.683 177.107 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.62 71.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.144 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.75 -45.15 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.627 1.171 . . . . 0.0 108.527 177.04 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -41.93 97.46 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.831 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.8 97.68 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 124.764 1.173 . . . . 0.0 110.421 178.308 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.16 -45.61 87.67 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 176.577 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.78 -38.95 79.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.709 176.851 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 m -60.17 -40.2 89.08 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 120.284 1.402 . . . . 0.0 110.149 176.934 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -69.32 -39.62 78.11 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.006 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.93 -37.93 86.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.584 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.73 -42.14 98.57 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 176.82 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -63.19 -38.66 92.04 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.79 -0.569 . . . . 0.0 109.712 177.092 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.86 -45.02 87.81 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.254 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.75 -45.3 86.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.316 1.446 . . . . 0.0 109.629 177.415 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.7 -35.69 80.53 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.028 0.831 . . . . 0.0 110.467 176.691 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -66.49 -46.31 76.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.745 1.218 . . . . 0.0 110.051 176.975 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -62.14 -44.19 97.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.867 0.867 . . . . 0.0 109.411 177.314 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.34 -48.39 81.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.488 1.515 . . . . 0.0 111.569 177.098 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.78 93.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.861 0.864 . . . . 0.0 111.117 176.867 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -60.01 -47.32 86.34 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.122 0.969 . . . . 0.0 110.297 177.289 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.34 -49.22 67.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.491 1.516 . . . . 0.0 113.218 -178.344 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.77 -34.86 76.28 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.933 1.293 . . . . 0.0 113.457 179.675 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.39 -21.03 28.09 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 179.294 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -146.31 -26.39 0.43 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -177.556 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.89 -24.36 58.1 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -178.568 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 p -93.07 -35.02 0.33 Allowed Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 179.871 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -55.25 -26.57 52.5 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 122.839 2.36 . . . . 0.0 116.103 -179.933 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.11 0 CA-C-N 119.268 0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -79.99 -27.64 39.6 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 -178.364 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -161.52 178.93 8.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.885 1.674 . . . . 0.0 110.856 -178.398 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt -52.78 -51.79 59.32 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.267 1.027 . . . . 0.0 111.935 178.158 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -57.87 -50.09 74.5 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.853 -178.413 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.4 p -63.12 -31.98 73.25 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 119.513 1.051 . . . . 0.0 110.994 178.265 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -38.87 74.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.048 -1.658 . . . . 0.0 110.292 178.076 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.17 -45.94 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 115.835 -2.031 . . . . 0.0 108.514 177.584 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.53 -32.14 73.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 126.571 2.42 . . . . 0.0 109.941 177.821 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.05 -44.61 76.86 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 178.772 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.85 -43.11 99.5 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.298 1.039 . . . . 0.0 109.105 177.744 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -44.98 89.12 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.96 -34.45 76.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.721 -0.612 . . . . 0.0 112.159 177.171 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.5 -49.45 71.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.611 1.164 . . . . 0.0 110.438 177.565 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -64.79 -40.37 95.12 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 117.597 -1.192 . . . . 0.0 109.514 177.844 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.06 -39.66 90.69 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.989 0.813 . . . . 0.0 110.901 177.251 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.88 -38.47 91.01 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.895 0.77 . . . . 0.0 109.804 178.882 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 118.254 -0.879 . . . . 0.0 108.781 176.949 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.61 -35.22 77.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 115.712 -2.089 . . . . 0.0 110.555 178.069 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -63.9 -43.85 94.75 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 119.584 1.083 . . . . 0.0 109.287 178.224 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.3 m -69.29 -40.76 77.52 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.127 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.5 -55.43 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.196 1.398 . . . . 0.0 110.112 177.127 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.71 -47.11 83.33 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.925 1.69 . . . . 0.0 112.596 177.659 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.96 89.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.593 0.757 . . . . 0.0 111.825 177.345 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 m -66.65 -47.51 72.3 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.544 0.688 . . . . 0.0 111.018 177.54 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.04 -53.54 57.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.968 1.707 . . . . 0.0 114.53 -179.477 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -65.92 -14.84 62.27 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -177.931 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.65 -65.33 0.45 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.944 0.783 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -87.71 -30.89 20.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 119.741 -2.035 . . . . 0.0 112.953 -177.47 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.13 -9.34 85.3 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.501 1.76 . . . . 0.0 117.501 -176.985 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.66 -50.16 0.29 Allowed Pre-proline 0 N--CA 1.474 0.752 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -178.01 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.89 -26.32 80.42 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.148 2.566 . . . . 0.0 118.365 -178.507 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.179 0 CA-C-N 119.197 0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 p -87.02 -36.69 18.07 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -175.724 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -150.59 176.18 11.22 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.39 1.476 . . . . 0.0 111.291 178.362 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt -53.73 -51.13 64.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.928 0.491 . . . . 0.0 111.151 -178.835 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -60.6 -45.84 92.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.012 -178.888 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p -64.28 -30.78 71.82 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.315 1.416 . . . . 0.0 111.54 176.913 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -44.71 81.38 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.436 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.1 -44.45 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 -176.947 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.06 -42.95 95.61 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.866 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.45 85.71 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 118.307 -1.274 . . . . 0.0 111.48 177.67 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -67.7 -39.08 84.4 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.202 1.501 . . . . 0.0 109.355 177.313 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.32 -47.92 83.71 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.815 -1.179 . . . . 0.0 107.815 178.066 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.7 m -59.07 -40.53 85.49 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.226 1.01 . . . . 0.0 109.821 176.809 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.21 -47.26 83.27 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 125.605 1.562 . . . . 0.0 111.198 178.916 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.94 -36.33 84.03 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.064 0.847 . . . . 0.0 109.358 177.689 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.15 -32.69 74.29 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.882 -1.761 . . . . 0.0 110.292 175.799 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.7 -43.76 71.77 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 119.348 -2.095 . . . . 0.0 108.63 175.985 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -58.44 -47.75 82.98 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 105.677 -1.971 . . . . 0.0 105.677 179.025 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.08 -47.51 80.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.342 179.076 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -55.6 -44.13 76.71 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.991 0.814 . . . . 0.0 109.737 177.04 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -66.72 -39.5 88.02 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 119.928 1.24 . . . . 0.0 107.985 -177.311 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -64.6 -43.68 93.0 Favored 'General case' 0 CA--C 1.566 1.567 0 O-C-N 120.691 -1.256 . . . . 0.0 109.383 177.608 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.78 -38.42 90.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.689 1.196 . . . . 0.0 110.738 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.72 87.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.914 1.286 . . . . 0.0 111.677 177.275 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.875 -1.141 . . . . 0.0 109.885 177.11 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.94 -54.24 20.19 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.097 0.959 . . . . 0.0 112.469 177.207 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -71.14 -5.78 34.28 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.329 1.852 . . . . 0.0 114.299 -177.819 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.81 -41.98 0.89 Allowed Glycine 0 C--N 1.347 1.142 0 C-N-CA 124.247 0.927 . . . . 0.0 114.358 176.07 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 m -120.92 -44.66 2.41 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.871 -1.37 . . . . 0.0 113.738 -178.233 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.14 24.86 0.7 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 119.842 2.697 . . . . 0.0 119.842 179.493 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.85 -48.26 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.165 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -178.153 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.9 -8.94 17.17 Favored 'Trans proline' 0 CA--C 1.559 1.747 0 C-N-CA 123.137 2.558 . . . . 0.0 117.84 -179.457 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.332 0 CA-C-N 119.843 1.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -67.73 -30.41 69.89 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -177.251 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -161.54 179.32 8.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.57 1.148 . . . . 0.0 110.739 -178.941 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.24 -50.97 63.66 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.873 1.269 . . . . 0.0 111.913 177.386 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -58.99 -48.17 82.54 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.406 1.083 . . . . 0.0 113.157 179.707 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.2 p -63.79 -34.97 79.09 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.814 1.188 . . . . 0.0 110.798 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -43.91 82.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.867 0.758 . . . . 0.0 109.939 177.077 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.92 -44.84 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.064 1.345 . . . . 0.0 108.868 177.587 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 mt -57.16 -43.54 82.64 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 0.0 108.873 177.697 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.95 95.12 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 177.262 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.5 -42.12 96.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.049 0.94 . . . . 0.0 110.379 177.732 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.473 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -59.17 -39.34 82.2 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.747 1.158 . . . . 0.0 109.915 176.493 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -66.04 -48.82 69.82 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.511 1.525 . . . . 0.0 108.806 179.894 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.53 -47.26 84.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.602 1.092 . . . . 0.0 108.712 177.84 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.85 -41.72 87.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.623 1.169 . . . . 0.0 108.556 177.581 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.41 -37.29 84.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.229 0.922 . . . . 0.0 109.532 -179.259 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.84 -46.0 92.3 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.936 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.36 -45.45 88.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.023 0.929 . . . . 0.0 109.493 176.621 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -56.02 -45.62 79.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.56 1.073 . . . . 0.0 109.365 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -65.55 -44.01 88.11 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -176.807 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.81 -47.92 82.94 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.785 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.49 -51.86 67.74 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.284 1.434 . . . . 0.0 110.634 177.1 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.82 79.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.858 1.263 . . . . 0.0 112.798 177.482 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.4 m -67.67 -40.09 84.49 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 177.486 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -68.93 -46.68 67.64 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.17 -0.956 . . . . 0.0 112.508 178.967 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 p -69.72 -40.15 76.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.077 0.853 . . . . 0.0 112.304 177.927 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.89 -33.66 23.55 Favored Glycine 0 N--CA 1.48 1.58 0 N-CA-C 118.013 1.965 . . . . 0.0 118.013 -179.157 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -129.39 -20.41 3.32 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -177.832 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.92 -53.36 3.99 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 120.133 -1.604 . . . . 0.0 116.408 178.902 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.0 p -66.53 -32.3 5.11 Favored Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 118.604 2.816 . . . . 0.0 118.604 -179.977 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.15 -11.2 23.93 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.404 2.736 . . . . 0.0 116.171 176.72 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.594 0 CA-C-N 119.802 1.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p -60.03 -33.02 71.44 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -179.017 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -158.39 177.02 11.71 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.275 1.43 . . . . 0.0 110.819 177.413 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.92 -49.7 72.75 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.247 0.619 . . . . 0.0 112.41 178.865 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -57.66 -49.69 75.65 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.895 178.279 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p -63.79 -27.69 69.35 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.928 1.24 . . . . 0.0 111.161 177.182 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -42.11 80.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.977 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.32 -48.62 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.165 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.34 -44.2 75.71 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.606 0.763 . . . . 0.0 110.85 177.622 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.41 -45.76 92.6 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 123.919 0.771 . . . . 0.0 111.402 176.851 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -61.34 -45.63 93.6 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 123.479 0.712 . . . . 0.0 109.756 176.292 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.0 mt -56.68 -38.42 72.22 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.002 0.819 . . . . 0.0 109.683 178.753 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -65.62 -37.75 87.46 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.281 -0.887 . . . . 0.0 109.399 178.645 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.51 -44.83 77.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.999 -1.063 . . . . 0.0 110.424 176.244 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -60.07 -38.24 82.26 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.47 1.032 . . . . 0.0 110.341 176.371 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.4 -38.49 84.73 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.712 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.07 -38.68 91.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.084 0.856 . . . . 0.0 109.177 177.883 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.58 -42.83 97.48 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.846 -1.074 . . . . 0.0 108.104 176.563 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.62 -42.03 91.75 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 124.376 1.048 . . . . 0.0 109.21 177.366 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -62.21 -42.27 99.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.012 0.824 . . . . 0.0 109.38 178.428 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -66.09 -43.94 85.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.959 0.904 . . . . 0.0 110.267 177.595 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.7 -46.61 89.71 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.415 1.086 . . . . 0.0 109.824 177.395 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.54 -55.72 31.22 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.561 1.544 . . . . 0.0 110.323 177.841 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.01 73.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.221 1.009 . . . . 0.0 112.045 177.327 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 m -63.97 -46.43 84.65 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.53 -0.732 . . . . 0.0 109.997 177.456 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -62.85 -45.1 94.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.518 1.927 . . . . 0.0 113.814 -179.326 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 p -76.85 -34.66 57.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.861 1.265 . . . . 0.0 112.551 -178.568 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.32 -20.99 18.58 Favored Glycine 0 CA--C 1.547 2.063 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -176.011 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -136.38 -43.69 0.62 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -179.075 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.83 -44.53 96.97 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 125.104 1.335 . . . . 0.0 113.837 -177.235 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.25 43.5 p -92.6 -43.38 0.35 Allowed Pre-proline 0 N--CA 1.483 1.198 0 CA-C-O 115.639 -2.124 . . . . 0.0 114.12 179.125 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -77.84 -3.58 13.66 Favored 'Trans proline' 0 CA--C 1.571 2.371 0 C-N-CA 123.8 3.0 . . . . 0.0 114.901 177.887 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.579 0 CA-C-N 121.053 1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 p -78.98 -31.99 45.13 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -178.05 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -156.67 179.65 9.06 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.818 1.647 . . . . 0.0 110.973 177.885 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -45.07 91.88 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.248 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -60.99 -46.73 89.58 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 117.134 -1.412 . . . . 0.0 111.464 177.284 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.0 -22.53 66.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.011 1.278 . . . . 0.0 110.742 177.045 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -37.94 64.5 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.762 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.47 -48.34 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.205 -1.559 . . . . 0.0 107.087 177.105 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.14 -48.06 79.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.246 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.78 -42.1 96.3 Favored Glycine 0 C--O 1.214 -1.148 0 O-C-N 121.313 -0.867 . . . . 0.0 112.166 179.421 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -58.14 -52.12 66.87 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 119.49 1.645 . . . . 0.0 108.242 173.483 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.46 -39.18 79.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -178.698 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -63.65 -38.6 91.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 119.89 -1.756 . . . . 0.0 108.809 -179.628 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.36 -48.54 67.17 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.581 177.376 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.02 -40.34 76.48 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.299 0.954 . . . . 0.0 109.845 177.773 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.1 mt -67.5 -41.48 84.43 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -178.777 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -65.86 -35.77 81.58 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.953 1.251 . . . . 0.0 111.194 177.031 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.59 -49.66 76.65 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 176.834 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.24 -38.48 80.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.676 177.351 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.71 -35.18 80.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.15 1.341 . . . . 0.0 110.078 178.061 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -72.35 -39.17 68.3 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.131 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -66.41 -37.13 84.53 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.872 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.48 -37.77 88.69 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 116.609 -1.662 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.22 78.79 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.503 1.047 . . . . 0.0 110.179 176.988 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 m -69.3 -46.02 68.16 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 177.312 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.9 -43.98 97.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.249 2.22 . . . . 0.0 113.465 179.987 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.6 p -83.91 -42.41 16.36 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.5 -24.57 56.19 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.43 -175.888 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -129.68 -44.45 1.21 Allowed 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.66 1.73 . . . . 0.0 111.81 179.703 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.86 -61.5 7.38 Favored Glycine 0 CA--C 1.544 1.864 0 CA-C-N 118.839 0.745 . . . . 0.0 113.667 -177.7 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.454 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 30.8 m -56.03 -52.75 70.1 Favored Pre-proline 0 N--CA 1.491 1.615 0 C-N-CA 125.923 1.689 . . . . 0.0 114.391 -177.212 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.454 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 32.3 Cg_exo -60.7 -28.67 86.91 Favored 'Trans proline' 0 CA--C 1.572 2.407 0 C-N-CA 122.186 1.924 . . . . 0.0 115.19 177.627 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.662 0 CA-C-N 121.092 1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 118.254 -0.879 . . . . 0.0 108.658 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 p -67.09 -35.24 79.37 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -178.478 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -160.41 -179.1 7.39 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.224 1.409 . . . . 0.0 111.997 179.697 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 tp -51.68 -52.59 46.96 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.327 1.451 . . . . 0.0 112.497 178.037 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -58.4 -48.04 81.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.943 0.897 . . . . 0.0 112.044 179.32 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.9 p -65.79 -31.34 72.26 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 119.099 0.863 . . . . 0.0 111.525 177.457 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -41.77 81.67 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.533 1.061 . . . . 0.0 109.112 176.735 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.6 -41.28 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.385 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.7 -37.62 79.36 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.252 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.27 -44.11 98.51 Favored Glycine 0 CA--C 1.541 1.689 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 177.819 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -60.73 -47.19 87.42 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.512 1.156 . . . . 0.0 109.483 176.696 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.95 -48.02 82.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 110.679 177.593 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -59.12 -40.57 85.82 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.665 0.786 . . . . 0.0 110.876 176.988 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.68 -49.17 76.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.18 1.392 . . . . 0.0 110.243 177.368 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.24 -42.95 96.36 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.007 1.276 . . . . 0.0 110.071 178.787 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.62 -45.23 91.27 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.068 0.547 . . . . 0.0 110.336 177.43 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -60.09 -42.06 93.82 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.379 1.472 . . . . 0.0 111.925 177.319 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -57.33 -44.84 84.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.197 0.999 . . . . 0.0 109.466 177.401 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.83 -38.5 85.68 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.928 176.645 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.92 -42.96 99.13 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.347 1.43 . . . . 0.0 111.151 177.315 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -61.09 -46.34 91.01 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.788 0.722 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.91 -42.45 97.4 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.627 -0.671 . . . . 0.0 111.716 177.208 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.32 -52.22 66.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.449 1.5 . . . . 0.0 111.693 177.582 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.79 67.09 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.181 0.9 . . . . 0.0 111.248 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 m -61.09 -49.7 76.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.019 0.928 . . . . 0.0 110.484 177.205 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -60.92 -47.8 84.75 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 113.272 -178.888 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.1 p -75.85 -38.78 57.64 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -177.49 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.26 -21.7 26.69 Favored Glycine 0 N--CA 1.473 1.102 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 -177.397 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -129.44 -42.63 1.31 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.708 1.254 . . . . 0.0 113.39 -178.075 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.17 -45.81 84.25 Favored Glycine 0 N--CA 1.466 0.681 0 N-CA-C 116.051 1.18 . . . . 0.0 116.051 -178.086 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 m -78.87 -51.3 1.37 Allowed Pre-proline 0 N--CA 1.474 0.77 0 CA-C-N 118.094 0.947 . . . . 0.0 113.223 -178.365 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.93 3.25 4.61 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 123.189 2.593 . . . . 0.0 115.009 177.163 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -81.33 -42.15 20.99 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 179.847 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -146.56 177.66 8.89 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.639 1.576 . . . . 0.0 111.301 179.699 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.39 -45.32 76.63 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.436 -0.79 . . . . 0.0 112.098 -178.714 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -61.27 -49.13 78.31 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.986 0.812 . . . . 0.0 110.53 179.774 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -65.32 -25.89 67.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.522 1.055 . . . . 0.0 111.513 177.573 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -40.24 66.43 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.087 0.858 . . . . 0.0 109.549 176.231 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.31 -43.69 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.74 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.7 mt -57.88 -42.83 85.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.452 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -44.13 94.94 Favored Glycine 0 CA--C 1.542 1.734 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 176.84 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -61.68 -48.89 78.77 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.285 1.042 . . . . 0.0 108.21 178.163 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -57.03 -49.01 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.223 1.009 . . . . 0.0 111.228 177.59 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -59.35 -42.99 92.84 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.381 176.921 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.92 -48.98 74.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.376 1.47 . . . . 0.0 110.848 178.44 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.23 -40.48 94.18 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.524 1.056 . . . . 0.0 109.958 178.498 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.75 -38.04 85.82 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.563 -0.711 . . . . 0.0 109.581 176.695 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.55 -41.11 96.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.712 0.805 . . . . 0.0 109.047 177.658 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.83 -45.1 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.562 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.91 -38.28 81.87 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.083 177.006 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.46 -40.59 97.52 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.112 1.324 . . . . 0.0 108.959 177.329 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -64.48 -47.33 79.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.41 0.684 . . . . 0.0 109.64 177.201 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.32 -44.89 92.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.646 0.778 . . . . 0.0 110.929 177.221 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.94 -42.76 99.91 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 125.231 1.412 . . . . 0.0 111.918 178.398 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.0 80.51 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.212 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.2 m -62.84 -40.49 97.59 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.783 0.833 . . . . 0.0 110.789 176.968 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -61.83 -55.06 33.84 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.714 1.606 . . . . 0.0 112.586 178.022 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.3 p -75.96 -27.38 57.5 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.732 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.16 -19.29 33.8 Favored Glycine 0 CA--C 1.54 1.601 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -178.895 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -143.65 -52.73 0.35 Allowed 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.639 1.22 . . . . 0.0 113.945 -176.478 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.25 -26.86 51.43 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 126.196 1.855 . . . . 0.0 117.015 -177.879 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.0 p -110.91 -42.25 0.1 Allowed Pre-proline 0 CA--C 1.546 0.802 0 CA-C-O 116.542 -1.694 . . . . 0.0 113.263 177.524 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -71.86 -9.9 25.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 C-N-CA 122.932 2.422 . . . . 0.0 113.922 177.659 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 120.492 1.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -87.34 -16.54 34.75 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.345 1.979 . . . . 0.0 116.345 -177.6 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -169.22 173.63 6.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.914 2.086 . . . . 0.0 110.413 -179.841 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.2 tp -52.21 -52.71 50.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.736 1.214 . . . . 0.0 111.471 178.837 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -59.82 -41.88 92.25 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.823 0.849 . . . . 0.0 113.004 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 p -68.01 -29.39 68.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.514 1.506 . . . . 0.0 110.268 177.174 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -41.7 79.85 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.247 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.892 178.868 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.12 -37.83 78.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.329 0.651 . . . . 0.0 110.524 176.644 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.33 -49.94 69.57 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 175.884 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -59.13 -49.76 76.65 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.686 0.743 . . . . 0.0 109.676 177.094 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -54.27 -50.59 66.9 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.538 1.135 . . . . 0.0 111.854 178.621 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -60.41 -39.01 85.86 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.872 1.215 . . . . 0.0 112.295 176.815 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.2 -49.25 72.77 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 177.097 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.16 -37.93 89.24 Favored 'General case' 0 C--N 1.342 0.272 0 O-C-N 121.405 -0.81 . . . . 0.0 111.967 177.853 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.53 -42.5 99.56 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.409 -1.432 . . . . 0.0 108.9 176.957 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -61.43 -37.3 83.0 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 125.032 1.333 . . . . 0.0 110.832 176.385 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.5 -48.32 64.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.16 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.6 mt -56.15 -44.16 79.0 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.999 1.272 . . . . 0.0 110.7 176.948 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.22 -40.88 91.71 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.85 0.86 . . . . 0.0 110.853 177.051 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.0 m -66.09 -42.09 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.972 0.509 . . . . 0.0 110.286 176.951 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -62.35 -44.18 97.09 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.884 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.09 -34.91 78.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.558 1.143 . . . . 0.0 111.887 177.033 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.99 92.71 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.819 1.191 . . . . 0.0 108.892 177.682 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.8 m -65.69 -37.52 86.69 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.482 -1.386 . . . . 0.0 108.822 179.774 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -70.65 -51.17 29.66 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.833 1.253 . . . . 0.0 111.98 178.798 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.6 p -70.14 -30.63 67.84 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.018 1.327 . . . . 0.0 113.552 -178.552 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.45 -26.66 10.67 Favored Glycine 0 CA--C 1.545 1.951 0 C-N-CA 123.66 0.648 . . . . 0.0 114.622 -178.174 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -127.81 -52.69 1.34 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -178.222 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.3 -43.23 57.26 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 179.415 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.3 p -95.73 -46.71 0.26 Allowed Pre-proline 0 N--CA 1.48 1.053 0 CA-C-O 116.562 -1.685 . . . . 0.0 115.095 -179.29 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -71.27 -16.64 31.39 Favored 'Trans proline' 0 C--N 1.357 1.007 0 CA-C-N 122.867 2.06 . . . . 0.0 115.438 -178.531 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.627 0 CA-C-N 119.875 1.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 p -58.28 -47.54 83.31 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 -176.914 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -144.12 173.97 11.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.857 0.863 . . . . 0.0 111.148 179.134 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.8 tp -58.24 -48.5 80.21 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.207 -0.933 . . . . 0.0 112.173 -177.724 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -58.13 -46.51 85.48 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.477 1.111 . . . . 0.0 111.753 177.356 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.0 p -67.16 -29.62 69.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.265 0.939 . . . . 0.0 110.959 177.145 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -42.56 77.31 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 119.385 0.993 . . . . 0.0 108.903 177.509 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.62 -51.88 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.524 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -54.29 -45.08 72.43 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.47 1.108 . . . . 0.0 110.207 177.079 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.52 -45.92 93.87 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.611 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.13 -47.22 80.8 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.098 0.949 . . . . 0.0 109.482 177.289 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.6 mt -56.61 -50.58 71.59 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.498 1.119 . . . . 0.0 110.362 178.47 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -56.27 -38.91 71.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.735 1.152 . . . . 0.0 110.75 178.501 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -47.71 70.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.73 0.695 . . . . 0.0 111.224 177.388 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.26 -38.84 91.59 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 119.149 0.886 . . . . 0.0 110.645 178.089 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.99 -38.55 91.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.376 1.071 . . . . 0.0 108.799 177.312 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -65.02 -42.29 94.51 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.269 -0.894 . . . . 0.0 108.612 176.787 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.28 -43.91 92.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.787 1.176 . . . . 0.0 109.111 177.074 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.47 -38.61 87.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.545 0.738 . . . . 0.0 110.03 177.18 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.35 -42.91 98.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.964 1.256 . . . . 0.0 107.635 178.261 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.5 m -65.84 -40.1 91.45 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.668 1.187 . . . . 0.0 110.655 177.16 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -64.15 -43.66 94.51 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.205 -0.934 . . . . 0.0 109.468 177.762 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.66 -44.38 96.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.844 0.858 . . . . 0.0 109.636 177.126 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.84 83.07 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.052 0.842 . . . . 0.0 110.174 176.858 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 m -58.0 -39.29 77.9 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.682 1.593 . . . . 0.0 109.256 177.677 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.06 -51.89 58.9 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.469 -0.77 . . . . 0.0 109.846 179.12 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.8 p -62.58 -24.25 67.45 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 178.307 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -29.13 8.74 Favored Glycine 0 N--CA 1.482 1.759 0 N-CA-C 117.098 1.599 . . . . 0.0 117.098 178.263 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -139.46 -50.3 0.5 Allowed 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.354 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.44 -53.02 8.42 Favored Glycine 0 CA--C 1.552 2.36 0 N-CA-C 117.462 1.745 . . . . 0.0 117.462 -177.615 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.52 -40.36 0.27 Allowed Pre-proline 0 N--CA 1.477 0.896 0 CA-C-O 115.646 -2.121 . . . . 0.0 115.573 177.448 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.44 -27.41 82.42 Favored 'Trans proline' 0 C--N 1.353 0.798 0 CA-C-N 123.038 2.121 . . . . 0.0 116.106 176.514 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.92 0 CA-C-N 119.75 1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p -65.15 -35.31 80.72 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.2 1.555 . . . . 0.0 115.2 -177.566 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -156.34 175.26 14.24 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.605 1.162 . . . . 0.0 110.302 177.188 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.66 -43.27 89.78 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.406 -0.809 . . . . 0.0 112.285 -178.958 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -60.42 -45.95 91.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.245 1.018 . . . . 0.0 111.467 177.299 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -67.19 -29.39 69.06 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.39 0.996 . . . . 0.0 111.368 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -42.14 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.417 1.008 . . . . 0.0 108.716 175.586 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.16 -45.45 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.001 1.32 . . . . 0.0 108.489 178.273 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.84 -32.0 70.26 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.018 0.927 . . . . 0.0 110.189 177.289 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.02 -50.84 37.72 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.604 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.87 -48.38 75.66 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.166 0.986 . . . . 0.0 109.308 177.221 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.54 -48.31 82.14 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.925 1.29 . . . . 0.0 111.667 177.138 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -58.29 -37.5 75.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.574 0.749 . . . . 0.0 110.688 177.865 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -48.2 77.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.856 178.129 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.24 -44.04 97.45 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.683 0.674 . . . . 0.0 109.819 177.209 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.74 -36.81 82.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.592 1.157 . . . . 0.0 111.364 177.464 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.87 -49.91 64.16 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.409 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -54.75 -46.2 74.28 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.852 0.751 . . . . 0.0 109.434 177.55 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.44 -47.03 87.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.834 1.253 . . . . 0.0 110.859 177.836 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -60.58 -38.04 83.31 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.543 1.065 . . . . 0.0 111.154 176.749 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -66.19 -44.22 84.6 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.668 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.31 -43.5 96.3 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.372 -0.83 . . . . 0.0 109.642 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.74 -43.47 97.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.133 1.373 . . . . 0.0 110.967 178.358 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.94 83.97 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.617 0.767 . . . . 0.0 110.41 175.793 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.9 m -62.71 -39.55 94.37 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.435 0.694 . . . . 0.0 110.66 177.25 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.443 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 10.4 t-20 -69.21 -50.31 48.53 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.121 -1.612 . . . . 0.0 112.966 179.051 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -62.23 -18.23 60.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.569 1.147 . . . . 0.0 113.17 -178.349 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.43 -53.12 0.61 Allowed Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.812 1.196 . . . . 0.0 113.98 178.037 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 m -107.34 -32.24 7.85 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -176.934 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . -67.86 -44.33 79.97 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-O 117.761 -1.577 . . . . 0.0 115.357 -176.567 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.3 1.3 p -106.3 -55.78 0.07 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 177.158 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -75.33 -8.2 19.49 Favored 'Trans proline' 0 CA--C 1.552 1.403 0 C-N-CA 122.972 2.448 . . . . 0.0 114.311 176.105 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 119.072 -2.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -71.08 -33.01 69.8 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -177.496 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -157.61 176.95 11.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.734 1.214 . . . . 0.0 111.116 179.108 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp -54.91 -44.4 74.16 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.675 0.79 . . . . 0.0 112.429 177.742 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -60.74 -50.48 73.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.3 1.04 . . . . 0.0 111.21 179.097 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.0 p -64.38 -29.56 70.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.549 1.068 . . . . 0.0 112.085 177.306 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -46.09 68.19 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.675 1.125 . . . . 0.0 109.312 177.428 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.47 -49.51 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 O-C-N 121.245 -0.91 . . . . 0.0 109.832 177.59 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.14 -40.97 82.7 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.606 0.762 . . . . 0.0 110.469 176.91 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -43.32 95.33 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.691 1.138 . . . . 0.0 111.301 176.186 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -64.44 -51.31 63.74 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 176.989 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.43 -38.79 74.95 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.573 1.149 . . . . 0.0 112.479 179.407 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -63.16 -38.67 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.053 1.297 . . . . 0.0 108.513 177.755 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.58 -39.83 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.776 1.231 . . . . 0.0 109.437 176.895 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.35 -41.62 98.87 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.588 1.54 . . . . 0.0 108.787 177.133 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.73 -35.5 81.28 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.093 1.757 . . . . 0.0 108.907 177.344 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.16 -48.39 70.91 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 177.223 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.43 -45.27 80.84 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.944 1.298 . . . . 0.0 108.568 178.532 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.01 -45.04 96.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.129 0.972 . . . . 0.0 110.071 177.423 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -57.57 -43.77 84.78 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.718 1.145 . . . . 0.0 110.413 175.86 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -64.96 -44.24 90.06 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.101 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.98 93.75 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.567 1.076 . . . . 0.0 111.143 176.885 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.32 -46.38 90.08 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.16 0.984 . . . . 0.0 109.951 177.201 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.65 68.7 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.29 1.036 . . . . 0.0 110.909 178.346 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.8 m -62.3 -37.0 83.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.747 -0.595 . . . . 0.0 110.523 177.643 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -65.72 -51.29 60.49 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.073 -1.017 . . . . 0.0 111.93 177.828 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 p -61.83 -7.1 3.22 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.591 1.557 . . . . 0.0 115.024 178.188 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.92 -39.25 0.61 Allowed Glycine 0 CA--C 1.548 2.113 0 C-N-CA 124.894 1.235 . . . . 0.0 113.885 179.79 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -130.12 -11.81 4.16 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -177.33 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.19 -37.1 6.81 Favored Glycine 0 N--CA 1.477 1.38 0 CA-C-N 120.351 1.432 . . . . 0.0 114.289 -177.268 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -118.2 -44.54 0.05 OUTLIER Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 -179.008 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -72.32 -8.55 22.91 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 CA-C-N 123.055 2.127 . . . . 0.0 114.894 178.665 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.102 0 CA-C-N 120.889 1.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -82.25 -21.36 36.33 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 179.052 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -166.3 171.87 11.66 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.271 1.428 . . . . 0.0 110.435 177.802 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.5 tp -51.32 -46.04 62.46 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.817 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -57.88 -52.98 63.23 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.353 1.461 . . . . 0.0 111.507 178.225 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -63.49 -27.57 69.37 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 121.183 -0.948 . . . . 0.0 111.219 178.584 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.68 73.82 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 119.003 0.82 . . . . 0.0 109.018 176.478 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.2 -51.15 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 119.777 1.172 . . . . 0.0 108.679 177.058 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.94 -39.07 77.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.44 0.696 . . . . 0.0 111.395 177.59 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.27 96.54 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.383 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.47 -44.7 90.22 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.05 177.379 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.96 -48.0 73.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.612 1.096 . . . . 0.0 109.956 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -59.68 -42.15 92.29 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.699 0.8 . . . . 0.0 110.085 179.132 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -69.27 -41.61 76.65 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.657 0.783 . . . . 0.0 111.552 179.234 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.75 -40.91 96.09 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.728 1.149 . . . . 0.0 108.29 176.603 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.29 -36.78 84.82 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 176.684 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.42 -43.48 94.22 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.297 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.3 -36.46 80.15 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.984 177.188 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -66.75 -37.0 83.75 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.036 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.25 -35.08 79.94 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.736 1.153 . . . . 0.0 109.194 176.965 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -66.71 -39.43 88.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.681 1.128 . . . . 0.0 109.577 175.639 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -68.36 -40.14 81.57 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 121.101 -0.999 . . . . 0.0 110.783 176.3 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.18 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.443 1.497 . . . . 0.0 110.089 175.98 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.02 81.31 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 120.068 -1.645 . . . . 0.0 107.995 178.689 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.5 m -58.68 -44.92 90.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.901 0.48 . . . . 0.0 110.407 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 6.0 t-20 -70.56 -41.79 71.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.111 -0.993 . . . . 0.0 113.254 -178.705 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -67.6 -30.67 70.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.054 0.942 . . . . 0.0 112.748 177.437 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.05 -49.88 3.41 Favored Glycine 0 CA--C 1.535 1.295 0 N-CA-C 115.661 1.025 . . . . 0.0 115.661 177.806 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -120.25 -6.45 9.88 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -177.298 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . -84.47 -66.43 1.47 Allowed Glycine 0 N--CA 1.468 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 114.922 -178.141 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.299 11.9 p -117.88 -55.71 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.592 0 CA-C-O 116.109 -1.901 . . . . 0.0 115.366 -177.64 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -76.52 -32.78 3.54 Favored 'Trans proline' 0 CA--C 1.555 1.537 0 CA-C-N 123.325 2.223 . . . . 0.0 113.266 176.957 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.044 0 CA-C-N 119.175 0.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 p -70.87 -26.44 63.25 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -177.488 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -160.21 176.76 11.38 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.873 1.669 . . . . 0.0 110.472 177.406 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp -57.26 -47.16 82.12 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.343 0.657 . . . . 0.0 111.725 179.954 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -58.04 -43.62 86.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 112.65 177.47 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -66.05 -32.47 73.95 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 120.532 1.515 . . . . 0.0 110.829 177.382 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -40.81 89.12 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.652 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.3 -45.0 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.905 0.882 . . . . 0.0 109.342 176.912 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.04 -36.58 70.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.635 1.107 . . . . 0.0 110.338 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.21 -49.26 62.63 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 176.181 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -58.58 -47.74 83.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.312 1.045 . . . . 0.0 109.949 177.137 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.11 -41.37 88.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.665 0.786 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.42 -41.1 98.7 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.429 0.692 . . . . 0.0 110.961 177.301 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -61.66 -51.06 70.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.106 0.962 . . . . 0.0 109.785 177.203 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.75 -41.26 97.43 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.805 -0.56 . . . . 0.0 111.408 177.164 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.65 -32.17 72.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 177.238 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -71.07 -42.55 69.25 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 176.472 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -61.88 -43.5 98.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.845 0.858 . . . . 0.0 109.312 176.966 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.78 -46.26 87.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.047 0.939 . . . . 0.0 109.81 177.044 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.55 -31.27 72.38 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.619 177.471 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -68.93 -45.1 71.69 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.817 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -59.99 -42.28 93.86 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.099 0.96 . . . . 0.0 110.455 176.682 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.422 1.089 . . . . 0.0 110.458 177.473 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.31 86.13 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.384 -0.823 . . . . 0.0 110.64 177.131 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.4 m -59.29 -48.79 80.3 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.43 -0.794 . . . . 0.0 111.816 177.075 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.38 -41.22 89.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.842 0.747 . . . . 0.0 112.683 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 p -70.78 -33.18 70.49 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.297 -0.877 . . . . 0.0 113.327 177.808 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.37 -25.82 22.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.538 1.066 . . . . 0.0 115.345 -179.036 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -152.25 24.02 0.63 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.084 1.942 . . . . 0.0 114.655 -178.844 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -115.68 -81.57 0.93 Allowed Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.446 1.022 . . . . 0.0 112.982 178.206 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.291 3.0 p -88.33 -57.58 0.28 Allowed Pre-proline 0 N--CA 1.48 1.042 0 CA-C-O 116.84 -1.552 . . . . 0.0 115.011 179.254 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.05 -23.15 9.41 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.505 2.803 . . . . 0.0 114.697 177.953 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 120.743 -1.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -70.54 -43.94 68.51 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.998 2.221 . . . . 0.0 116.998 -177.365 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -147.72 175.19 11.1 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.287 1.403 . . . . 0.0 111.55 179.147 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.9 tp -54.38 -48.17 71.85 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.248 -0.908 . . . . 0.0 112.413 -178.731 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -58.35 -51.61 69.06 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.732 1.213 . . . . 0.0 110.049 178.562 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -67.61 -27.09 66.6 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 119.229 0.922 . . . . 0.0 110.856 179.695 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.36 -43.96 54.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.048 . . . . 0.0 109.336 177.729 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.33 -48.03 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.809 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.26 -34.06 73.2 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.08 1.309 . . . . 0.0 108.164 177.377 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.28 -44.68 90.25 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 178.808 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.44 -47.56 85.57 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.612 1.706 . . . . 0.0 106.57 176.992 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.0 -37.02 78.46 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.448 1.022 . . . . 0.0 110.886 177.213 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.95 93.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.332 1.053 . . . . 0.0 110.081 176.724 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.89 -43.41 79.39 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.474 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.21 -37.15 86.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.648 -1.282 . . . . 0.0 108.385 179.241 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.433 -1.31 0 O-C-N 120.121 -1.612 . . . . 0.0 107.771 178.579 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -63.3 -45.93 89.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.33 1.452 . . . . 0.0 108.634 177.803 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.79 -47.37 85.95 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.678 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.59 -38.13 86.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 110.166 179.445 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.83 -36.06 81.49 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.368 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -66.97 -45.86 76.39 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 176.158 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.73 -33.13 68.13 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.819 175.244 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.86 -42.23 81.66 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.142 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.93 96.66 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.703 -1.248 . . . . 0.0 108.454 178.408 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.9 m -68.24 -55.81 10.9 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 122.065 -0.397 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.1 -38.9 58.84 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 177.186 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.89 -27.8 66.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.835 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.01 -22.29 12.27 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.499 1.045 . . . . 0.0 113.623 177.301 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.5 m -157.33 91.7 1.19 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 128.349 2.66 . . . . 0.0 108.941 -178.127 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.53 -73.76 0.11 Allowed Glycine 0 N--CA 1.467 0.755 0 C-N-CA 124.09 0.853 . . . . 0.0 112.051 -177.537 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.294 20.6 p -117.87 -56.78 0.04 OUTLIER Pre-proline 0 N--CA 1.477 0.898 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 177.462 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -74.38 -26.26 12.4 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 CA-C-N 123.322 2.222 . . . . 0.0 115.083 -177.338 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.363 0 CA-C-N 118.729 0.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -77.16 -26.21 52.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -177.392 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -164.18 -179.37 6.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.168 1.387 . . . . 0.0 110.389 179.394 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.75 -52.13 61.14 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.992 0.917 . . . . 0.0 110.884 178.089 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -56.8 -47.11 80.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.383 1.073 . . . . 0.0 113.368 179.939 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -65.6 -33.92 77.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.122 1.328 . . . . 0.0 110.792 177.446 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -38.31 80.5 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.159 0.436 . . . . 0.0 109.881 176.408 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.01 1.724 . . . . 0.0 108.914 176.92 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.69 -47.6 79.52 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.43 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.76 97.72 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 179.123 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.59 -46.92 71.23 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 115.275 -2.297 . . . . 0.0 109.508 177.287 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.59 -40.93 84.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 120.236 1.38 . . . . 0.0 111.348 177.791 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 117.033 -1.461 . . . . 0.0 109.685 176.377 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.62 -43.14 90.45 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.741 175.797 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.24 -40.28 95.63 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 119.1 0.864 . . . . 0.0 108.986 177.943 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -34.81 77.29 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.434 -1.416 . . . . 0.0 109.646 177.321 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -42.86 99.76 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.387 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -58.1 -48.85 78.92 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.818 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.65 -42.51 88.53 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.396 -179.739 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.77 -45.2 94.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 120.088 1.313 . . . . 0.0 109.775 176.571 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -62.44 -39.69 94.17 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.827 -1.171 . . . . 0.0 110.071 178.063 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.07 -48.21 74.55 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.04 177.995 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.94 -41.54 99.52 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 119.754 1.161 . . . . 0.0 111.309 178.207 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -32.55 72.91 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -76.4 -55.09 5.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.1 1.36 . . . . 0.0 109.576 178.175 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -55.35 -39.9 70.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.92 1.688 . . . . 0.0 113.125 -177.721 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.9 p -62.56 -17.61 60.33 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 176.88 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.88 -29.16 4.46 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 125.643 1.592 . . . . 0.0 111.529 176.847 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -160.65 100.38 1.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.261 1.424 . . . . 0.0 109.678 -179.757 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.75 -102.54 0.18 Allowed Glycine 0 C--N 1.338 0.639 0 C-N-CA 128.057 2.742 . . . . 0.0 107.778 -177.545 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.257 0.1 OUTLIER -100.3 -63.14 0.08 OUTLIER Pre-proline 0 N--CA 1.482 1.154 0 CA-C-O 115.388 -2.244 . . . . 0.0 109.993 176.556 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -66.37 -36.89 25.53 Favored 'Trans proline' 0 C--N 1.357 0.984 0 CA-C-N 122.626 1.973 . . . . 0.0 110.599 178.101 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.064 0 O-C-N 119.551 -1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -97.52 -36.4 10.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -177.356 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -151.91 173.63 14.58 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.935 1.294 . . . . 0.0 110.088 177.779 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.89 -44.24 78.01 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 118.653 -0.689 . . . . 0.0 112.15 -177.223 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -61.05 -48.43 81.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.702 1.137 . . . . 0.0 112.318 177.29 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -67.45 -27.66 67.23 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 119.789 1.177 . . . . 0.0 110.989 177.55 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.466 -0.771 . . . . 0.0 109.946 178.347 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.71 -49.06 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.166 1.386 . . . . 0.0 108.878 176.809 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.49 -41.98 95.39 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.518 1.054 . . . . 0.0 109.572 177.222 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.91 -45.22 96.23 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.013 0.816 . . . . 0.0 111.591 177.223 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.66 -47.11 76.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.607 1.204 . . . . 0.0 109.155 177.077 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.91 -54.69 39.37 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.479 1.512 . . . . 0.0 110.683 177.365 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.9 m -60.54 -35.69 76.62 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.691 0.678 . . . . 0.0 111.035 179.811 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -51.53 61.5 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.424 1.011 . . . . 0.0 109.939 177.146 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -64.64 -33.34 75.71 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.096 0.862 . . . . 0.0 111.521 177.485 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.69 -35.35 75.01 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.739 1.154 . . . . 0.0 108.501 177.225 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -67.64 -34.26 76.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.947 1.248 . . . . 0.0 107.713 176.384 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -70.58 -39.45 73.87 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.571 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.52 -41.2 98.71 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.784 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.86 -37.0 85.12 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.204 0.911 . . . . 0.0 108.73 177.168 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -68.29 -42.47 79.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.511 1.124 . . . . 0.0 108.709 177.345 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -63.37 -36.9 85.25 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.697 1.135 . . . . 0.0 108.736 177.318 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.57 -45.36 79.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.603 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.65 79.52 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.303 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.653 1.181 . . . . 0.0 108.89 178.162 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -60.96 -34.9 75.46 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.876 0.762 . . . . 0.0 111.898 177.654 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -69.14 -15.14 63.35 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.332 0.969 . . . . 0.0 111.992 177.558 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.13 -44.79 1.44 Allowed Glycine 0 C--N 1.346 1.116 0 C-N-CA 126.098 1.808 . . . . 0.0 109.393 -177.602 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -147.09 83.84 1.58 Allowed 'General case' 0 CA--C 1.538 0.514 0 O-C-N 119.967 -1.902 . . . . 0.0 110.28 179.776 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.22 -79.99 0.05 OUTLIER Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.916 1.722 . . . . 0.0 110.48 178.884 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.581 ' HB ' ' HD3' ' A' ' 32' ' ' PRO 0.286 97.9 m -111.19 -82.68 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.809 0 CA-C-O 117.041 -1.457 . . . . 0.0 108.622 177.379 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.581 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 44.0 Cg_exo -58.02 -28.52 83.56 Favored 'Trans proline' 0 CA--C 1.555 1.555 0 CA-C-N 123.69 2.354 . . . . 0.0 115.095 176.395 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.579 0 CA-C-N 120.696 1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -87.17 -47.19 9.07 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -177.507 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -146.41 175.76 10.3 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.481 1.037 . . . . 0.0 111.285 -177.807 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp -49.08 -54.28 16.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.88 0.872 . . . . 0.0 112.674 179.035 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -57.65 -50.1 74.29 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.052 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.1 p -65.83 -35.37 80.48 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 120.057 1.298 . . . . 0.0 111.257 178.749 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -42.51 73.77 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.265 -0.897 . . . . 0.0 111.585 177.33 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.15 -42.02 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.543 1.065 . . . . 0.0 109.313 176.731 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.56 -42.05 95.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.171 1.351 . . . . 0.0 108.03 177.785 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.28 99.52 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.211 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -64.79 -41.42 95.84 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.662 -1.161 . . . . 0.0 109.415 176.966 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.57 -45.21 95.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.643 1.11 . . . . 0.0 108.24 176.761 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 m -59.62 -37.92 79.94 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.051 0.841 . . . . 0.0 110.58 176.801 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.91 -47.97 78.45 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.758 1.223 . . . . 0.0 109.664 176.654 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.33 -33.29 74.94 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.641 1.109 . . . . 0.0 109.294 178.681 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.83 -37.84 82.44 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.241 1.837 . . . . 0.0 108.501 176.576 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -65.55 -37.14 85.85 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.995 1.318 . . . . 0.0 107.779 176.813 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.27 -41.12 90.35 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.188 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.245 1.384 . . . . 0.0 107.667 179.968 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.57 -35.52 81.07 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.979 -1.076 . . . . 0.0 110.07 176.575 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -64.81 -44.38 90.07 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 108.468 176.286 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.596 -1.315 . . . . 0.0 109.245 178.357 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.35 -43.52 96.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.902 1.281 . . . . 0.0 110.758 177.22 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.1 75.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.794 0.838 . . . . 0.0 109.862 177.322 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.3 m -60.7 -48.4 81.96 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.115 -0.991 . . . . 0.0 109.812 179.087 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.696 1.199 . . . . 0.0 111.572 -179.037 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -65.02 -17.58 64.56 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 176.729 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.75 -30.86 6.59 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.382 1.468 . . . . 0.0 112.239 176.566 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.3 m -162.94 98.37 0.95 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.826 2.45 . . . . 0.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.62 -120.73 0.78 Allowed Glycine 0 N--CA 1.469 0.889 0 C-N-CA 125.688 1.613 . . . . 0.0 110.454 -177.491 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.499 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 22.7 m -80.04 -57.14 0.68 Allowed Pre-proline 0 N--CA 1.485 1.306 0 CA-C-O 117.172 -1.394 . . . . 0.0 109.873 176.524 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 13.7 Cg_exo -69.26 -43.55 3.0 Favored 'Trans proline' 0 CA--C 1.557 1.665 0 C-N-CA 122.535 2.157 . . . . 0.0 110.092 175.418 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.844 0 CA-C-N 120.431 1.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -79.19 -44.03 22.7 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -177.61 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -149.26 178.75 8.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.591 1.156 . . . . 0.0 111.544 -176.567 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.9 tp -50.67 -56.31 12.47 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.773 0.829 . . . . 0.0 111.376 177.663 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -52.2 -52.41 52.35 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.483 1.513 . . . . 0.0 112.913 -179.279 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.8 p -65.99 -33.39 75.7 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.661 0.664 . . . . 0.0 111.71 177.806 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.92 74.28 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.041 0.837 . . . . 0.0 110.944 177.225 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.22 -48.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.131 1.332 . . . . 0.0 108.738 177.353 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 mt -54.87 -46.21 74.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.063 0.847 . . . . 0.0 109.391 177.296 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.76 98.32 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 177.725 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.69 -44.97 95.92 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.166 1.483 . . . . 0.0 109.54 177.118 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.22 -48.98 78.68 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.365 0.984 . . . . 0.0 109.359 177.155 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -39.68 89.81 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.995 177.608 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.38 -46.77 78.79 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.121 0.969 . . . . 0.0 111.04 177.115 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.41 -38.64 90.54 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.914 1.234 . . . . 0.0 109.764 177.1 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -63.54 -30.58 71.68 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.971 -1.08 . . . . 0.0 110.926 175.587 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.84 -48.28 63.9 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.857 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -58.38 -42.49 87.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.36 1.064 . . . . 0.0 109.469 177.086 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.12 -42.31 98.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.676 -0.678 . . . . 0.0 109.369 177.052 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.39 -39.72 94.15 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.039 0.836 . . . . 0.0 109.021 176.879 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -65.86 -45.42 82.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.182 0.901 . . . . 0.0 109.944 177.947 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -60.18 -45.05 94.44 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.807 0.843 . . . . 0.0 109.656 177.249 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.97 -45.12 95.02 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.415 1.086 . . . . 0.0 110.433 178.061 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.57 68.87 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.526 1.131 . . . . 0.0 111.347 177.765 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -76.66 -47.8 20.99 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 176.317 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.09 -39.64 79.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.518 1.527 . . . . 0.0 113.2 179.287 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -65.81 -21.0 66.46 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.522 1.129 . . . . 0.0 112.9 177.444 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.19 -26.55 6.93 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.837 1.208 . . . . 0.0 113.131 177.241 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -158.9 89.83 0.96 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.791 2.036 . . . . 0.0 110.818 178.043 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.99 -102.72 0.17 Allowed Glycine 0 CA--C 1.535 1.305 0 CA-C-O 119.134 -0.815 . . . . 0.0 111.606 -178.972 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -95.4 -64.37 0.12 Allowed Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.136 -1.411 . . . . 0.0 111.206 177.55 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 14.7 Cg_exo -71.1 -29.03 18.24 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 122.459 2.106 . . . . 0.0 112.927 177.189 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.017 0 CA-C-N 118.696 0.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -90.38 -35.29 15.28 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 178.92 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -152.52 173.38 15.23 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.958 1.303 . . . . 0.0 110.327 176.664 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.23 -42.82 82.13 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.077 -1.014 . . . . 0.0 113.158 -178.366 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.5 -47.44 81.69 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.087 0.555 . . . . 0.0 111.881 178.243 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -62.44 -30.49 71.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.128 0.876 . . . . 0.0 110.466 176.724 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -45.56 77.74 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.62 0.768 . . . . 0.0 108.971 177.311 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.15 -51.6 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.726 1.21 . . . . 0.0 109.994 177.272 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.62 -48.83 71.76 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.773 0.715 . . . . 0.0 110.736 177.182 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.23 90.8 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.078 0.847 . . . . 0.0 111.735 177.505 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.4 -48.39 81.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.328 1.064 . . . . 0.0 110.721 176.903 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.9 mt -54.97 -46.77 75.09 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.572 1.078 . . . . 0.0 111.261 177.071 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m -64.86 -41.02 96.02 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.893 177.767 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -45.6 92.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.722 0.809 . . . . 0.0 111.998 177.057 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.94 -41.66 92.33 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.358 0.981 . . . . 0.0 109.481 177.523 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.5 mt -63.96 -36.39 83.79 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 121.213 -0.93 . . . . 0.0 110.825 176.626 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.81 -41.72 97.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.945 1.298 . . . . 0.0 110.46 176.601 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.99 -49.42 76.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.999 0.92 . . . . 0.0 108.792 176.743 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.1 mt -54.99 -45.39 75.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.329 1.052 . . . . 0.0 111.169 177.581 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -63.74 -37.51 87.63 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.117 0.871 . . . . 0.0 110.965 177.222 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -66.21 -42.67 88.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 110.363 177.385 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -62.46 -47.35 84.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.081 0.952 . . . . 0.0 108.942 177.487 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.75 -55.03 39.41 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.403 1.481 . . . . 0.0 110.813 177.659 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.23 -52.92 18.91 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.737 1.215 . . . . 0.0 110.422 177.497 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 m -58.98 -52.84 64.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.149 0.98 . . . . 0.0 111.674 178.192 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.42 -30.62 65.11 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 113.528 -177.545 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -58.75 -38.08 77.66 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.679 1.127 . . . . 0.0 112.735 179.371 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.68 -24.1 6.55 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.197 0.903 . . . . 0.0 114.499 -179.863 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -136.95 65.35 1.51 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.36 1.464 . . . . 0.0 110.399 -178.106 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.87 -78.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.087 -0.841 . . . . 0.0 113.777 -179.011 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.469 ' HB ' ' HD3' ' A' ' 32' ' ' PRO 0.251 0.2 OUTLIER -116.41 -64.31 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -177.457 . . . . . . . . 4 4 . 1 . 076 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 21.5 Cg_exo -65.27 -46.57 5.6 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.602 2.202 . . . . 0.0 113.528 -177.607 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 O-C-N 120.612 -1.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 p -65.46 -52.18 54.86 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -177.341 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -145.55 171.38 14.77 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.964 1.256 . . . . 0.0 110.897 177.323 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.7 tp -53.65 -54.61 35.3 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.407 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -58.46 -46.68 86.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 112.803 -178.999 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -67.48 -30.79 70.58 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.174 0.897 . . . . 0.0 110.934 176.933 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.24 -44.68 78.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.646 0.779 . . . . 0.0 110.296 176.617 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.17 -48.98 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.144 0.883 . . . . 0.0 108.741 177.468 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -54.07 -55.93 22.82 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.364 1.066 . . . . 0.0 110.532 177.169 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.93 92.26 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 123.548 0.594 . . . . 0.0 113.874 178.235 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.19 -51.14 65.22 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.873 0.869 . . . . 0.0 109.274 177.715 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.65 -36.34 78.45 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.512 0.725 . . . . 0.0 111.513 177.871 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -62.92 -37.81 88.46 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.813 1.188 . . . . 0.0 110.51 176.308 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -36.68 75.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.912 0.885 . . . . 0.0 109.883 176.831 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.26 -39.49 89.5 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.765 -1.21 . . . . 0.0 108.218 176.838 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.0 -30.78 71.39 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.113 -0.992 . . . . 0.0 109.191 176.725 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -67.11 -45.39 77.36 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 177.712 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -58.41 -44.07 88.88 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.023 0.828 . . . . 0.0 109.07 176.704 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.22 -37.52 83.33 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 117.263 -1.351 . . . . 0.0 110.119 177.047 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.93 -39.0 92.83 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 120.413 1.461 . . . . 0.0 108.363 176.795 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -63.9 -42.5 97.42 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.945 0.793 . . . . 0.0 109.559 176.763 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -64.64 -40.89 96.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.563 0.745 . . . . 0.0 110.412 177.331 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.66 -46.36 85.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.748 1.219 . . . . 0.0 111.007 177.257 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.06 71.64 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.246 177.571 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -73.44 -54.38 8.41 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 108.941 177.328 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -57.37 -32.41 66.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.219 1.808 . . . . 0.0 114.996 -177.363 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -63.21 -27.7 69.54 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.492 0.587 . . . . 0.0 112.469 177.541 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.37 -66.52 0.7 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.04 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.3 m -90.94 76.28 6.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.374 2.269 . . . . 0.0 109.495 177.452 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.13 -85.34 0.07 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 116.212 1.245 . . . . 0.0 116.212 177.447 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.505 ' HB ' ' HD3' ' A' ' 32' ' ' PRO 0.261 1.0 OUTLIER -108.25 -63.13 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.966 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -177.269 . . . . . . . . 4 4 . 1 . 077 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 17.0 Cg_exo -68.38 -31.42 28.07 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.743 2.296 . . . . 0.0 114.587 -179.552 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.031 0 O-C-N 120.712 -1.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 078 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 118.519 -0.753 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 078 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 p -78.64 -46.02 20.2 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 117.38 2.363 . . . . 0.0 117.38 -177.248 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -147.74 174.03 12.21 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.038 1.29 . . . . 0.0 111.843 178.903 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.59 -56.38 12.01 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.421 1.088 . . . . 0.0 112.382 -178.45 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -59.56 -45.33 92.15 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 113.57 178.884 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.1 p -67.96 -34.99 77.63 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.471 1.032 . . . . 0.0 109.793 179.38 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -42.57 88.8 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.657 0.662 . . . . 0.0 110.09 177.192 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 t -64.13 -50.75 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.015 0.926 . . . . 0.0 109.581 177.414 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.57 -48.81 68.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 110.32 177.383 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.09 -51.65 57.05 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.241 0.925 . . . . 0.0 112.518 177.246 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -57.84 -42.93 85.43 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.872 1.336 . . . . 0.0 110.295 178.014 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.45 -45.81 90.55 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.967 0.803 . . . . 0.0 110.573 177.255 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.8 m -65.21 -33.72 76.67 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 116.582 -1.675 . . . . 0.0 110.833 176.977 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.72 -46.8 74.34 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.858 1.208 . . . . 0.0 109.382 177.422 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.83 -37.92 87.5 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.816 -1.177 . . . . 0.0 108.889 178.846 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 mt -63.57 -33.64 76.04 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.026 -1.671 . . . . 0.0 108.592 177.045 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -65.84 -36.73 84.29 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.01 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -66.28 -42.45 88.41 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.746 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.43 -40.57 97.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.266 0.939 . . . . 0.0 110.242 177.26 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.75 -38.27 90.49 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.397 0.999 . . . . 0.0 108.866 176.763 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 m -64.95 -46.52 81.22 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.336 1.055 . . . . 0.0 108.318 177.114 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.39 -37.42 87.21 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.468 -1.395 . . . . 0.0 107.924 179.532 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -60.87 -38.7 86.47 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.176 0.898 . . . . 0.0 110.083 178.947 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.37 -8.04 29.64 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.699 1.199 . . . . 0.0 113.75 176.387 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -104.6 -36.66 7.41 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 127.582 2.353 . . . . 0.0 106.72 177.387 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -63.67 -25.18 68.09 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 125.088 1.355 . . . . 0.0 109.625 -177.893 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -67.42 -0.21 3.49 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.49 1.916 . . . . 0.0 112.704 177.464 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.77 -78.44 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 128.552 2.977 . . . . 0.0 106.303 177.79 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -94.99 84.72 4.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.411 1.485 . . . . 0.0 109.224 178.444 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.99 -65.42 0.1 OUTLIER Glycine 0 CA--C 1.518 0.263 0 O-C-N 121.553 -0.717 . . . . 0.0 114.399 179.244 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 24.1 m -111.9 -58.13 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.147 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 178.34 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.465 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 40.4 Cg_exo -63.72 -47.09 7.65 Favored 'Trans proline' 0 CA--C 1.55 1.31 0 CA-C-N 122.924 2.08 . . . . 0.0 114.308 -179.4 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.45 0 CA-C-N 118.858 0.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 079 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 079 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -80.07 -58.4 3.17 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -177.386 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -135.39 172.29 13.22 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.684 1.129 . . . . 0.0 110.642 177.503 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.58 -56.04 24.95 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.712 0.805 . . . . 0.0 112.25 -177.519 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -58.59 -46.45 86.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 0.0 112.376 178.377 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.0 p -65.21 -24.69 67.43 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.531 1.06 . . . . 0.0 111.856 178.119 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -43.12 78.69 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.527 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.86 -58.41 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.009 1.323 . . . . 0.0 112.178 177.219 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.66 -40.28 78.98 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.114 1.766 . . . . 0.0 110.217 179.995 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.63 -43.33 76.84 Favored Glycine 0 CA--C 1.543 1.801 0 CA-C-O 117.433 -1.76 . . . . 0.0 108.816 179.513 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -63.41 -40.65 97.77 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.343 2.072 . . . . 0.0 109.862 177.008 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.34 -41.62 93.98 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.806 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -68.91 -37.26 78.84 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -176.816 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -44.36 89.49 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 120.988 1.722 . . . . 0.0 108.056 177.323 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -61.89 -39.12 90.85 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.355 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.41 -35.77 82.0 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.072 -1.642 . . . . 0.0 107.611 -179.373 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.86 -44.12 90.74 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.283 1.033 . . . . 0.0 108.638 176.061 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -61.87 -37.83 86.03 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.967 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.95 -37.01 85.37 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.921 178.27 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.95 -43.57 92.26 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.218 0.917 . . . . 0.0 108.62 177.404 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -64.58 -43.03 95.16 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.48 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -62.36 -40.6 96.97 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.057 -1.027 . . . . 0.0 108.958 177.165 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.96 -39.82 94.06 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.721 -1.237 . . . . 0.0 110.413 177.99 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.73 68.02 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 118.657 0.662 . . . . 0.0 111.122 177.251 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.9 m -86.37 -38.21 17.65 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.91 1.684 . . . . 0.0 110.337 174.797 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.65 -30.89 67.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.016 1.727 . . . . 0.0 113.137 -178.224 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -63.71 3.33 0.37 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.897 2.079 . . . . 0.0 112.98 177.826 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.54 -76.84 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 C-N-CA 130.116 3.722 . . . . 0.0 107.353 -178.507 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -89.37 77.52 7.35 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 126.557 1.943 . . . . 0.0 110.769 178.336 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.35 -51.23 0.17 Allowed Glycine 0 CA--C 1.541 1.663 0 O-C-N 119.51 -1.994 . . . . 0.0 112.299 177.249 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.458 ' HB ' ' HD3' ' A' ' 32' ' ' PRO 0.268 99.2 m -116.61 -63.39 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.281 0 CA-C-O 116.755 -1.593 . . . . 0.0 110.977 179.278 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 53.2 Cg_exo -59.14 -47.52 17.24 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 123.194 2.176 . . . . 0.0 114.781 -178.677 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.025 0 CA-C-N 119.035 0.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 080 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 080 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -67.64 -86.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.464 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -107.16 156.47 18.78 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.674 1.125 . . . . 0.0 112.501 -177.871 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.27 -48.31 79.21 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -177.568 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -58.41 -56.19 25.29 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.439 1.096 . . . . 0.0 113.053 -177.529 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.51 -34.52 78.1 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.545 0.611 . . . . 0.0 111.522 177.815 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 t -65.51 -45.0 85.24 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.288 0.949 . . . . 0.0 110.818 177.919 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.15 -48.99 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.75 177.129 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.97 -33.74 72.36 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.118 0.872 . . . . 0.0 110.916 177.202 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -44.28 57.44 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 177.684 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.11 -44.08 89.91 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.238 1.019 . . . . 0.0 109.09 177.842 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.62 -46.21 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.971 0.908 . . . . 0.0 109.718 176.714 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -60.36 -39.31 86.72 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.847 0.859 . . . . 0.0 111.549 175.528 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -49.87 73.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.349 1.06 . . . . 0.0 110.203 177.165 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.18 -38.49 91.39 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.293 -0.879 . . . . 0.0 109.79 178.201 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.1 -34.99 79.31 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 119.168 0.894 . . . . 0.0 109.038 177.083 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.63 -37.93 85.87 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 109.461 176.403 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.33 -44.92 86.24 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.486 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.25 -39.53 90.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.733 1.151 . . . . 0.0 111.142 176.134 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.86 -40.86 98.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.133 1.373 . . . . 0.0 109.844 177.914 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -72.22 -42.28 65.91 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.52 1.128 . . . . 0.0 109.646 177.179 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -58.75 -41.19 85.95 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.115 1.366 . . . . 0.0 109.114 177.109 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 tp -59.93 -51.66 68.76 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.177 1.391 . . . . 0.0 110.044 177.938 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.88 39.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.582 0.753 . . . . 0.0 109.951 178.107 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -61.17 -44.51 97.2 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.316 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.6 -35.85 66.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.406 1.483 . . . . 0.0 114.716 178.408 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.6 p -62.27 -10.34 10.63 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 177.688 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.0 -56.13 0.15 Allowed Glycine 0 N--CA 1.474 1.209 0 C-N-CA 126.723 2.106 . . . . 0.0 113.079 177.37 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -113.46 76.07 0.96 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.983 2.113 . . . . 0.0 110.85 176.65 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.24 -76.35 0.06 OUTLIER Glycine 0 CA--C 1.524 0.608 0 C-N-CA 125.77 1.652 . . . . 0.0 109.927 177.395 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.466 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 52.3 m -74.89 -55.06 2.51 Favored Pre-proline 0 N--CA 1.477 0.896 0 CA-C-O 117.441 -1.266 . . . . 0.0 112.953 177.699 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 24.1 Cg_exo -63.69 -52.82 1.6 Allowed 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.307 2.005 . . . . 0.0 114.02 176.692 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.111 0 O-C-N 123.391 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 081 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 117.222 -1.371 . . . . 0.0 108.705 . . . . . . . . . 0 0 . 1 . 081 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -72.36 -84.67 0.03 OUTLIER 'General case' 0 C--N 1.354 0.769 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -177.928 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -85.08 156.41 21.09 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 177.807 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.87 -48.31 77.22 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -179.524 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -54.71 -52.47 62.35 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.286 1.034 . . . . 0.0 112.942 -177.824 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 p -69.65 -30.75 68.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.725 178.86 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -65.02 -42.14 94.67 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 120.417 1.462 . . . . 0.0 108.769 -179.049 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.8 -47.78 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.668 177.27 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.72 -43.98 77.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.301 0.955 . . . . 0.0 111.195 177.028 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.81 85.15 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 126.395 1.95 . . . . 0.0 110.613 178.201 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.84 -49.77 74.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.732 1.266 . . . . 0.0 110.085 177.295 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.14 -44.91 83.83 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.222 0.919 . . . . 0.0 110.524 177.011 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -60.71 -39.13 87.4 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.907 0.883 . . . . 0.0 111.115 177.3 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.43 -49.38 69.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.816 0.847 . . . . 0.0 110.287 177.32 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.8 -45.85 91.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.815 -1.178 . . . . 0.0 109.722 177.6 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -60.26 -43.08 96.46 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.529 1.132 . . . . 0.0 109.159 177.054 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.29 -39.08 93.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.842 -1.161 . . . . 0.0 110.1 179.259 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -58.91 -48.1 82.65 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 119.888 -1.757 . . . . 0.0 108.515 177.327 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.44 -45.78 84.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.899 1.28 . . . . 0.0 108.156 177.308 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 124.563 1.145 . . . . 0.0 108.408 -179.117 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -65.36 -48.55 72.58 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.551 1.069 . . . . 0.0 110.718 178.247 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -58.17 -49.39 77.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.54 0.736 . . . . 0.0 111.302 177.404 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.32 -51.23 70.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.118 1.767 . . . . 0.0 111.814 179.055 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.26 77.93 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.169 0.988 . . . . 0.0 110.719 177.564 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -67.1 -46.04 75.43 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.225 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -57.31 -38.55 74.2 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.289 1.836 . . . . 0.0 112.889 -178.925 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -11.34 19.9 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.062 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.05 -56.45 0.33 Allowed Glycine 0 CA--C 1.555 2.553 0 C-N-CA 127.267 2.365 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -128.73 85.19 2.3 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.827 2.051 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.87 -69.0 0.05 OUTLIER Glycine 0 N--CA 1.466 0.697 0 N-CA-C 107.643 -2.183 . . . . 0.0 107.643 176.943 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.406 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 93.4 m -84.85 -53.49 0.48 Allowed Pre-proline 0 CA--C 1.541 0.627 0 O-C-N 125.003 1.061 . . . . 0.0 111.304 177.278 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 16.0 Cg_exo -72.22 -50.5 0.25 Allowed 'Trans proline' 0 CA--C 1.565 2.073 0 CA-C-O 115.18 -2.092 . . . . 0.0 115.126 177.803 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.442 0 CA-C-N 121.413 1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 082 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 082 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -63.65 -66.4 0.55 Allowed 'General case' 0 CA--C 1.561 1.39 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -176.967 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -132.41 163.48 28.65 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.839 1.199 . . . . 0.0 112.596 179.819 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.29 -52.9 61.94 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.435 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -52.92 -55.05 26.18 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.501 1.52 . . . . 0.0 112.903 -177.997 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.8 p -66.65 -38.19 86.35 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.203 -0.903 . . . . 0.0 112.0 177.698 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.29 -43.46 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.644 1.111 . . . . 0.0 113.201 -179.61 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.44 -52.98 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.137 0.881 . . . . 0.0 110.267 177.344 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.5 -44.85 93.0 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.729 0.412 . . . . 0.0 111.191 177.553 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.64 -44.81 93.84 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 124.339 0.971 . . . . 0.0 112.1 177.319 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -64.84 -40.86 95.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.177 0.989 . . . . 0.0 110.087 177.345 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.83 -41.97 98.46 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.551 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 m -62.89 -40.8 98.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.754 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.33 -47.58 85.42 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.798 1.239 . . . . 0.0 110.837 177.329 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.068 0.849 . . . . 0.0 110.009 177.472 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.88 -37.88 88.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.359 0.664 . . . . 0.0 109.666 177.702 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -62.34 -40.98 98.13 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.189 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.94 -46.53 84.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.464 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.54 -43.38 97.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.015 0.926 . . . . 0.0 109.89 178.248 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.16 -48.25 82.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.397 1.079 . . . . 0.0 109.861 177.121 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.3 m -62.99 -41.85 99.68 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.432 -0.792 . . . . 0.0 109.658 177.993 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.62 -48.74 80.43 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.393 -1.442 . . . . 0.0 107.995 -179.631 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.56 -49.59 76.92 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.32 0.964 . . . . 0.0 110.7 178.052 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -10.93 6.47 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.63 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -109.54 -36.95 5.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.64 1.576 . . . . 0.0 109.545 179.568 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.65 -31.63 66.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.47 1.508 . . . . 0.0 114.215 -176.842 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -61.58 -17.82 56.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.977 1.311 . . . . 0.0 113.13 178.516 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.2 -60.5 0.21 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 126.656 2.074 . . . . 0.0 112.075 177.124 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.3 m -111.21 73.83 0.84 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.275 1.83 . . . . 0.0 111.233 -179.177 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.33 -67.87 0.05 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 126.215 1.864 . . . . 0.0 111.617 177.373 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.497 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 18.2 m -82.73 -54.31 0.58 Allowed Pre-proline 0 N--CA 1.478 0.934 0 CA-C-O 117.01 -1.472 . . . . 0.0 113.555 177.131 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 16.8 Cg_exo -63.8 -66.1 0.05 OUTLIER 'Trans proline' 0 CA--C 1.563 1.94 0 C-N-CA 123.268 2.645 . . . . 0.0 115.584 173.808 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.896 0 O-C-N 124.256 0.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 083 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 118.2 -0.905 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 083 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -89.98 -73.38 0.52 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.46 1.104 . . . . 0.0 112.31 -178.759 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -111.83 158.46 19.37 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.208 1.003 . . . . 0.0 111.573 177.19 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp -58.64 -53.41 58.67 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -177.351 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -54.36 -34.71 61.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.855 1.262 . . . . 0.0 113.597 -177.306 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.8 p -94.5 -16.11 23.6 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.365 -0.834 . . . . 0.0 112.993 177.343 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -50.46 -64.69 0.73 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.479 1.512 . . . . 0.0 114.63 -177.283 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.12 -42.69 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.455 -178.027 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.47 -34.06 77.33 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.187 0.903 . . . . 0.0 111.609 177.421 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.95 59.64 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.737 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -56.9 -53.8 53.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.506 1.122 . . . . 0.0 108.058 177.026 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -56.62 -43.77 80.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.829 1.252 . . . . 0.0 112.484 178.636 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -63.92 -41.68 97.58 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.358 0.527 . . . . 0.0 112.194 177.464 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.24 -41.45 85.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.534 0.606 . . . . 0.0 109.751 176.531 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.49 -42.1 99.26 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.205 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.0 -41.47 99.59 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.393 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.06 -41.02 91.46 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.981 0.912 . . . . 0.0 109.782 178.036 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.12 -49.94 70.21 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.401 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.26 -43.7 83.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.692 1.197 . . . . 0.0 111.542 177.396 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.56 -37.94 85.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 110.273 176.464 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.7 m -67.05 -44.09 81.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.595 1.158 . . . . 0.0 110.93 176.301 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -61.14 -43.75 98.4 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.416 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.73 -42.53 99.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.945 1.298 . . . . 0.0 111.294 177.878 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.02 93.06 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.324 0.65 . . . . 0.0 109.892 179.373 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -58.51 -38.49 77.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.533 1.133 . . . . 0.0 111.981 176.655 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 22.3 t-20 -55.23 -47.19 75.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.781 1.233 . . . . 0.0 112.623 -179.15 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -26.4 2.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.259 2.224 . . . . 0.0 116.43 -177.935 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -22.03 0.63 Allowed Glycine 0 N--CA 1.476 1.317 0 N-CA-C 116.163 1.225 . . . . 0.0 116.163 -178.605 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -128.77 -0.69 5.4 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.082 1.441 . . . . 0.0 114.801 -176.899 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . -97.17 -79.55 1.47 Allowed Glycine 0 C--N 1.339 0.707 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 177.785 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.423 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 26.9 m -74.25 -55.48 2.91 Favored Pre-proline 0 N--CA 1.485 1.313 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.75 -178.065 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 23.6 Cg_exo -66.26 -28.28 47.69 Favored 'Trans proline' 0 CA--C 1.547 1.156 0 CA-C-N 122.519 1.935 . . . . 0.0 113.891 177.567 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.222 0 CA-C-N 119.011 0.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 084 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 118.212 -0.899 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 084 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -93.07 -71.31 0.66 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 -177.293 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -117.98 154.88 31.22 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.086 -1.009 . . . . 0.0 112.008 -178.417 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.99 -40.63 89.84 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.514 -0.741 . . . . 0.0 112.591 -177.318 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -48.82 -40.14 28.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.462 1.905 . . . . 0.0 113.315 177.171 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -98.76 -29.37 13.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 177.514 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.4 -50.97 71.91 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.431 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.68 -57.02 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.933 1.242 . . . . 0.0 111.022 -177.435 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.51 -42.88 83.65 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.849 -0.532 . . . . 0.0 110.964 177.268 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.86 87.63 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.758 1.171 . . . . 0.0 112.395 177.354 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.35 -44.21 97.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.725 1.262 . . . . 0.0 110.227 177.454 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.12 -53.11 62.0 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.58 0.627 . . . . 0.0 109.962 177.236 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -58.2 -45.38 87.73 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.442 1.097 . . . . 0.0 112.789 177.997 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.9 -43.21 96.66 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.512 1.051 . . . . 0.0 113.047 -178.792 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.41 -36.77 74.23 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.065 -1.445 . . . . 0.0 110.265 176.052 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -62.85 -36.43 83.21 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.016 0.826 . . . . 0.0 110.347 177.1 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.82 -41.39 91.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.58 1.152 . . . . 0.0 109.599 178.956 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.01 -48.13 77.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.423 -0.798 . . . . 0.0 108.965 177.991 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt -55.88 -42.22 75.61 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 124.736 1.215 . . . . 0.0 109.222 177.412 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -60.5 -41.18 93.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.701 1.2 . . . . 0.0 110.417 177.127 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -62.32 -46.11 90.2 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.492 -1.38 . . . . 0.0 109.738 175.963 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -64.42 -34.3 77.87 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 118.978 0.808 . . . . 0.0 111.678 176.93 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.27 -39.9 92.1 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.497 176.61 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.65 93.29 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.445 1.09 . . . . 0.0 108.552 176.583 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -67.19 -41.16 86.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.928 -1.108 . . . . 0.0 108.713 179.95 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.65 -48.61 80.99 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.007 -1.058 . . . . 0.0 113.039 177.124 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -71.52 -30.62 66.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.365 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.77 -59.16 1.28 Allowed Glycine 0 C--N 1.346 1.095 0 N-CA-C 117.183 1.633 . . . . 0.0 117.183 -177.886 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -101.4 -10.11 20.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -177.899 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.33 -62.67 1.09 Allowed Glycine 0 N--CA 1.472 1.072 0 O-C-N 118.644 -2.535 . . . . 0.0 113.659 -176.793 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.44 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 24.2 m -69.46 -53.58 12.6 Favored Pre-proline 0 N--CA 1.488 1.448 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -177.909 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 17.0 Cg_exo -68.31 -5.01 13.91 Favored 'Trans proline' 0 CA--C 1.564 1.983 0 CA-C-O 113.657 -2.726 . . . . 0.0 117.83 175.37 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.72 0 O-C-N 126.028 2.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 085 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.504 2.241 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 . . . . . . . . . 0 0 . 1 . 085 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -54.28 -74.07 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 117.725 2.491 . . . . 0.0 117.725 -179.611 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -117.43 152.99 33.86 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 122.418 1.104 . . . . 0.0 113.928 -179.539 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.05 -46.05 90.83 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.204 1.002 . . . . 0.0 112.261 -177.403 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -48.43 -60.83 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.717 2.007 . . . . 0.0 113.386 -178.745 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.2 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.511 -0.281 . . . . 0.0 111.369 -179.87 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.3 t -67.02 -40.32 87.24 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.055 -1.028 . . . . 0.0 113.717 -178.657 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.88 -49.69 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 CA-C-N 119.148 0.885 . . . . 0.0 109.777 177.291 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.59 -42.59 98.27 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.194 178.892 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.52 56.64 Favored Glycine 0 N--CA 1.472 1.087 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 177.188 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.91 -52.03 67.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 118.316 -0.849 . . . . 0.0 108.942 178.742 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.19 -48.97 77.42 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.824 0.738 . . . . 0.0 112.809 -178.328 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.8 m -60.56 -34.95 74.92 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 119.111 0.869 . . . . 0.0 109.537 177.132 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -70.94 -39.73 72.46 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 116.156 -1.878 . . . . 0.0 107.532 179.448 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 -179.821 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.44 -38.22 90.31 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.823 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -69.83 -31.51 69.43 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.335 -179.411 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -62.06 -40.53 96.11 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.905 1.23 . . . . 0.0 109.074 175.361 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.8 -38.03 89.05 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.206 0.941 . . . . 0.0 110.117 175.918 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.46 -35.28 80.42 Favored 'General case' 0 C--N 1.366 1.324 0 CA-C-N 118.715 0.689 . . . . 0.0 109.213 177.363 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -64.87 -44.42 89.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.017 -1.677 . . . . 0.0 108.77 178.45 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -64.87 -43.78 91.86 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.407 -0.808 . . . . 0.0 110.013 178.014 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.25 -44.22 95.44 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 126.251 1.82 . . . . 0.0 111.805 176.987 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.8 96.39 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 123.853 0.861 . . . . 0.0 109.779 176.306 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -62.76 -43.61 98.34 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.168 0.987 . . . . 0.0 109.739 177.832 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -61.74 -33.52 74.19 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.2 1.0 . . . . 0.0 110.459 178.154 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -75.88 -54.12 7.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.103 0.961 . . . . 0.0 112.991 177.342 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.89 -14.39 72.69 Favored Glycine 0 CA--C 1.541 1.684 0 N-CA-C 117.744 1.858 . . . . 0.0 117.744 -177.389 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.69 -20.96 0.82 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 119.355 1.578 . . . . 0.0 113.58 -177.927 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.52 -51.68 4.24 Favored Glycine 0 N--CA 1.487 2.054 0 O-C-N 120.628 -1.295 . . . . 0.0 112.556 179.095 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.2 m -63.51 -47.82 82.46 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 126.611 1.965 . . . . 0.0 112.949 -178.28 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.4 -2.56 8.46 Favored 'Trans proline' 0 CA--C 1.548 1.178 0 C-N-CA 123.474 2.783 . . . . 0.0 115.698 177.121 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.678 0 O-C-N 118.915 -2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 086 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 . . . . . . . . . 0 0 . 1 . 086 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -63.82 -52.59 59.49 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 -177.326 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -116.96 170.44 8.63 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.018 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.8 mt -77.98 -78.68 0.13 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.138 1.375 . . . . 0.0 109.726 178.18 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -23.88 -69.41 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -178.085 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.261 80.1 p -68.83 -34.08 74.91 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 177.244 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.2 t -69.69 -39.56 76.88 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.089 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.37 -49.52 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.393 1.477 . . . . 0.0 108.762 177.026 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.89 -52.32 65.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.709 0.804 . . . . 0.0 110.798 177.497 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.23 59.51 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 123.867 0.746 . . . . 0.0 112.171 177.522 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -61.15 -50.39 73.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.632 0.773 . . . . 0.0 111.092 177.237 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.15 -52.8 57.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.057 1.343 . . . . 0.0 112.26 178.105 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.94 -36.84 80.39 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.462 0.705 . . . . 0.0 111.601 177.058 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -70.66 -41.26 72.33 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 119.825 1.193 . . . . 0.0 111.101 178.606 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.96 -37.52 87.72 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.045 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -66.07 -38.74 89.07 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.263 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.95 -37.59 88.15 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.44 -0.788 . . . . 0.0 110.066 178.69 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -62.02 -44.88 95.77 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.461 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.7 mt -63.13 -33.41 75.41 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-O 117.355 -1.307 . . . . 0.0 108.615 -179.734 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.24 -35.43 80.39 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 119.566 1.075 . . . . 0.0 109.108 176.321 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -65.66 -42.78 90.98 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.092 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -64.46 -44.84 89.8 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.035 0.534 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 tp -57.02 -49.2 76.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.121 1.768 . . . . 0.0 111.881 176.629 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.74 78.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.943 . . . . 0.0 110.474 177.858 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -59.03 -43.51 91.61 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.167 0.987 . . . . 0.0 111.874 178.133 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.26 -31.87 73.25 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.158 -0.964 . . . . 0.0 112.006 178.009 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.4 m -75.72 -46.85 28.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.367 1.467 . . . . 0.0 112.575 179.604 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.92 -18.04 48.97 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 116.589 1.395 . . . . 0.0 116.589 -178.81 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -130.25 -51.52 1.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.625 1.213 . . . . 0.0 113.807 -177.5 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.54 -26.49 64.61 Favored Glycine 0 C--N 1.352 1.47 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -177.666 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.432 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 6.0 m -101.57 -51.51 0.17 Allowed Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 117.125 -1.416 . . . . 0.0 113.333 177.33 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 18.5 Cg_exo -72.05 -10.44 26.02 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 C-N-CA 123.346 2.698 . . . . 0.0 114.917 179.254 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.165 0 CA-C-N 120.773 1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 087 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 087 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.68 -59.69 3.81 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 117.287 2.329 . . . . 0.0 117.287 -178.478 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -125.93 163.68 22.45 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.075 1.35 . . . . 0.0 110.7 -179.589 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt -78.82 -36.2 43.0 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 174.556 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -42.71 -64.94 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.444 1.498 . . . . 0.0 114.608 -176.871 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -81.81 -19.95 40.09 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.282 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.92 -43.6 62.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 119.629 -1.92 . . . . 0.0 111.899 178.939 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.1 -52.5 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 124.637 1.175 . . . . 0.0 109.492 177.352 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -44.72 91.79 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.309 0.644 . . . . 0.0 111.147 177.425 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.36 90.03 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.488 -0.618 . . . . 0.0 111.721 176.994 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.91 -46.51 87.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.1 177.29 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 mt -55.16 -51.75 65.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.932 1.242 . . . . 0.0 110.269 177.388 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -61.28 -40.31 93.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.582 0.753 . . . . 0.0 112.545 177.452 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -69.37 -42.14 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.667 1.122 . . . . 0.0 112.033 177.625 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -66.72 -34.58 78.15 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 120.38 1.445 . . . . 0.0 108.861 176.577 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.24 -44.11 96.13 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 174.582 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.78 -35.8 81.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 120.02 -1.675 . . . . 0.0 109.299 179.576 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -66.99 -40.14 87.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.173 -1.579 . . . . 0.0 107.393 178.67 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.64 -43.83 97.81 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.287 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.8 -36.87 82.37 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.769 -1.207 . . . . 0.0 109.163 177.03 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -64.99 -50.08 67.71 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.835 1.254 . . . . 0.0 109.841 176.043 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -58.09 -42.37 85.47 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.726 -1.234 . . . . 0.0 110.654 177.275 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.31 -44.88 95.49 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 126.065 1.746 . . . . 0.0 109.65 179.056 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.08 -53.31 57.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.874 1.27 . . . . 0.0 111.066 175.858 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.8 m -57.28 -38.76 74.44 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.087 -1.633 . . . . 0.0 110.864 177.178 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -68.26 -37.8 81.09 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.097 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.7 m -68.22 -43.34 78.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.173 1.389 . . . . 0.0 112.533 178.212 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.09 49.14 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 -177.056 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 m -136.02 -47.5 0.66 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.144 1.472 . . . . 0.0 114.567 179.429 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.43 -42.45 98.98 Favored Glycine 0 CA--C 1.538 1.509 0 O-C-N 121.023 -1.048 . . . . 0.0 113.757 -178.508 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.457 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 15.4 m -77.72 -51.03 1.88 Allowed Pre-proline 0 N--CA 1.475 0.823 0 CA-C-O 116.617 -1.659 . . . . 0.0 113.351 179.677 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 26.4 Cg_exo -72.6 -19.47 24.48 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 CA-C-O 115.287 -2.047 . . . . 0.0 115.76 178.163 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.582 0 CA-C-N 122.172 2.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 088 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 088 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -35.53 -73.46 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.453 2.701 . . . . 0.0 116.712 -177.181 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -131.0 155.74 46.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.984 1.313 . . . . 0.0 111.236 -178.542 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.5 -46.77 71.95 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.463 0.705 . . . . 0.0 112.357 -179.784 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -43.91 -56.0 4.21 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.843 1.657 . . . . 0.0 113.667 -177.288 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -77.57 -41.34 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -61.5 -35.03 76.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.555 0.742 . . . . 0.0 112.959 -177.692 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.68 -52.28 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.699 1.199 . . . . 0.0 109.945 177.249 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.8 -51.63 68.94 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.14 0.976 . . . . 0.0 111.631 177.689 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.42 -49.74 50.44 Favored Glycine 0 N--CA 1.47 0.936 0 C-N-CA 124.621 1.105 . . . . 0.0 112.191 177.843 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -60.83 -50.14 74.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.599 177.483 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.1 tp -54.97 -47.58 74.36 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.556 178.426 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -43.36 91.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 117.536 -1.221 . . . . 0.0 112.296 177.539 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -67.43 -42.45 83.15 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.813 1.188 . . . . 0.0 112.038 177.034 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.42 -39.85 92.64 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.181 0.901 . . . . 0.0 109.157 179.695 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.2 -37.34 87.12 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.392 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -65.82 -39.12 90.57 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 122.019 -0.425 . . . . 0.0 110.164 177.53 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.87 -35.18 79.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.219 -0.926 . . . . 0.0 109.393 177.44 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 176.892 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -59.23 -41.81 89.54 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.541 1.064 . . . . 0.0 109.692 176.785 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -60.29 -54.58 44.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.622 1.169 . . . . 0.0 111.077 177.194 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -56.3 -45.54 80.21 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.728 -1.232 . . . . 0.0 112.064 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.82 -36.76 84.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.64 1.176 . . . . 0.0 112.225 176.762 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.81 -48.19 72.53 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.015 -1.053 . . . . 0.0 109.157 177.189 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.1 m -56.79 -41.17 77.22 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.617 1.567 . . . . 0.0 110.269 176.578 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -63.82 -41.71 97.81 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.479 -1.388 . . . . 0.0 110.101 178.463 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.4 m -69.48 -35.39 75.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.793 0.837 . . . . 0.0 111.733 -179.113 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.95 -24.89 23.89 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 115.974 1.149 . . . . 0.0 115.974 -177.14 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -135.45 -38.88 0.74 Allowed 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.767 1.283 . . . . 0.0 114.004 -178.261 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.13 -46.07 94.04 Favored Glycine 0 CA--C 1.539 1.578 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -178.618 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.406 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 94.6 m -71.76 -52.93 7.61 Favored Pre-proline 0 N--CA 1.468 0.439 0 CA-C-O 117.328 -1.32 . . . . 0.0 111.568 177.651 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 34.0 Cg_exo -57.19 -41.82 69.81 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.547 2.165 . . . . 0.0 113.282 178.119 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.124 0 O-C-N 121.358 -0.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 089 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 089 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -45.47 -63.81 0.87 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 -177.257 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -123.59 149.73 44.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.914 0.885 . . . . 0.0 112.211 -179.423 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.09 -47.03 72.45 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.035 0.934 . . . . 0.0 113.035 -179.864 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -45.31 -60.52 2.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.604 1.561 . . . . 0.0 113.72 -177.336 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -73.1 -37.28 66.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.51 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -69.12 -48.59 62.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.401 1.001 . . . . 0.0 113.684 -177.414 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -55.09 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.733 1.213 . . . . 0.0 110.119 -179.283 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.06 -44.37 96.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.931 -0.557 . . . . 0.0 110.598 177.518 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.19 -49.92 54.08 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.775 1.178 . . . . 0.0 112.647 177.184 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -60.02 -50.79 72.33 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 117.569 0.684 . . . . 0.0 110.258 177.332 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -55.17 -45.92 75.77 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.11 0.564 . . . . 0.0 111.25 177.471 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -63.96 -41.38 97.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.82 0.848 . . . . 0.0 111.019 178.676 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.6 -45.21 87.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.431 1.014 . . . . 0.0 111.553 177.316 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.32 -38.66 91.84 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.685 -1.259 . . . . 0.0 109.138 177.103 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.82 -39.19 93.65 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.387 -0.821 . . . . 0.0 109.034 176.991 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.41 -40.8 97.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.605 1.162 . . . . 0.0 109.396 177.321 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -62.02 -42.21 98.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.411 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.87 -42.43 93.72 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.809 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.16 -38.01 87.4 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.467 177.137 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -63.32 -42.4 98.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.098 1.317 . . . . 0.0 109.839 176.93 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.08 -43.28 95.92 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.235 -0.915 . . . . 0.0 109.562 177.395 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.67 -45.95 90.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.098 0.959 . . . . 0.0 110.08 177.305 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.32 84.63 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.278 0.944 . . . . 0.0 109.706 177.277 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.3 m -62.8 -35.57 80.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.524 1.13 . . . . 0.0 110.438 177.059 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -69.88 -51.24 34.85 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.167 -0.958 . . . . 0.0 111.226 177.146 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -59.7 -26.91 65.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.444 1.497 . . . . 0.0 113.174 177.721 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.28 -48.75 2.34 Favored Glycine 0 N--CA 1.472 1.059 0 C-N-CA 124.356 0.979 . . . . 0.0 113.868 179.757 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -117.31 -48.99 2.6 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -177.355 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.08 -30.34 16.54 Favored Glycine 0 N--CA 1.477 1.406 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -177.423 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 m -115.41 -51.75 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 CA-C-O 117.044 -1.455 . . . . 0.0 112.556 177.994 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -67.06 -9.78 26.25 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.32 2.013 . . . . 0.0 116.258 179.458 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 120.133 1.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 090 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.468 0.433 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 090 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -61.69 -36.43 80.87 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 118.109 2.633 . . . . 0.0 118.109 -175.076 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -145.44 156.08 43.53 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 120.726 1.603 . . . . 0.0 113.596 -178.119 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.55 -39.18 84.97 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.837 0.855 . . . . 0.0 111.554 177.541 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -45.02 -52.19 9.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.128 1.771 . . . . 0.0 112.681 -177.939 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -88.59 -40.49 13.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 178.041 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.36 -34.15 77.5 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.367 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -74.24 -52.8 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.905 0.882 . . . . 0.0 109.7 177.395 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.84 -44.97 91.07 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.188 0.595 . . . . 0.0 112.05 177.987 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.34 -49.63 67.39 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 118.993 0.815 . . . . 0.0 112.333 177.409 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.36 -42.17 98.88 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 119.137 -0.458 . . . . 0.0 110.766 177.197 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.37 -47.23 84.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 109.727 177.416 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -40.81 96.4 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.932 0.893 . . . . 0.0 110.2 177.79 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -64.37 -43.79 93.4 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-N 119.856 1.207 . . . . 0.0 109.808 178.351 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.56 -36.49 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.764 0.711 . . . . 0.0 109.99 176.346 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.85 -38.88 92.47 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.865 -1.772 . . . . 0.0 108.296 177.524 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -36.02 82.87 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 177.491 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.48 -48.59 72.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 176.561 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -54.85 -45.55 74.53 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.938 1.295 . . . . 0.0 110.805 176.992 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -59.91 -47.73 84.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.026 0.93 . . . . 0.0 109.263 177.505 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.7 m -62.6 -40.11 95.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.064 1.345 . . . . 0.0 112.239 177.702 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -61.29 -52.55 64.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.348 1.059 . . . . 0.0 109.822 177.669 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.33 -51.16 70.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.313 1.045 . . . . 0.0 111.641 177.344 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.48 76.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.528 0.731 . . . . 0.0 111.283 177.506 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.8 m -66.4 -38.04 86.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.809 0.844 . . . . 0.0 110.535 177.862 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.18 -43.26 99.22 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.278 0.945 . . . . 0.0 111.758 177.731 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -19.17 65.2 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.017 1.727 . . . . 0.0 113.116 178.32 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.78 -45.21 0.66 Allowed Glycine 0 N--CA 1.475 1.285 0 CA-C-N 119.454 1.025 . . . . 0.0 115.234 179.7 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 m -117.27 -9.82 10.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.726 2.01 . . . . 0.0 115.635 -178.149 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.66 -60.64 1.86 Allowed Glycine 0 N--CA 1.474 1.206 0 CA-C-N 119.748 1.158 . . . . 0.0 112.802 -178.253 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.6 m -90.54 -51.2 0.33 Allowed Pre-proline 0 N--CA 1.485 1.279 0 CA-C-O 117.296 -1.335 . . . . 0.0 112.35 -179.637 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.87 -36.75 22.3 Favored 'Trans proline' 0 CA--C 1.55 1.317 0 C-N-CA 122.084 1.856 . . . . 0.0 113.462 178.229 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.1 0 CA-C-N 119.414 1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 091 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 091 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -43.59 61.39 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 129.53 3.132 . . . . 0.0 117.312 -176.451 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -139.64 155.02 47.66 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.708 1.203 . . . . 0.0 112.07 177.944 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -73.25 -36.78 66.45 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.683 0.793 . . . . 0.0 112.459 179.286 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -47.79 -50.51 25.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.858 1.663 . . . . 0.0 112.625 -177.594 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.3 p -84.02 -41.78 16.87 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.505 0.722 . . . . 0.0 112.494 177.673 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -63.24 -48.89 76.31 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.144 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.41 -57.12 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.204 0.911 . . . . 0.0 112.88 177.435 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.95 -40.06 94.43 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.753 0.821 . . . . 0.0 112.003 -179.738 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.15 -42.25 97.03 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 123.956 0.789 . . . . 0.0 112.077 176.263 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.39 -43.03 91.93 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 117.004 -1.474 . . . . 0.0 109.008 177.131 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.44 -39.21 70.01 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.154 0.909 . . . . 0.0 109.466 177.253 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -63.92 -46.11 86.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.794 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.92 -38.64 91.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.38 -44.46 94.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.983 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.3 -39.38 90.24 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.337 1.055 . . . . 0.0 109.21 177.025 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.58 -39.28 91.44 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.308 -0.87 . . . . 0.0 109.559 177.456 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -62.66 -35.69 80.45 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.655 -1.278 . . . . 0.0 109.025 176.667 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.24 -39.67 91.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.445 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.45 -39.47 94.56 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.38 -1.45 . . . . 0.0 108.399 176.99 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -64.94 -40.74 95.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 0.0 109.224 177.908 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.54 -42.4 95.75 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.026 -1.464 . . . . 0.0 108.348 177.112 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -56.39 -51.47 68.21 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 121.002 1.728 . . . . 0.0 109.394 178.139 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -44.67 88.84 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.971 0.908 . . . . 0.0 111.521 177.421 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -60.91 -37.6 82.84 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.862 0.865 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -68.0 -54.55 17.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.102 1.361 . . . . 0.0 108.686 177.26 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.6 m -51.72 -36.64 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.629 1.972 . . . . 0.0 113.757 177.192 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.52 -36.07 6.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.111 -1.383 . . . . 0.0 115.653 -178.652 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -133.98 -49.01 0.8 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.259 1.529 . . . . 0.0 114.724 -177.154 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.97 -42.31 47.23 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 116.316 1.286 . . . . 0.0 116.316 -177.164 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -53.67 0.28 Allowed Pre-proline 0 N--CA 1.479 0.98 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.851 178.258 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -56.69 -45.57 35.88 Favored 'Trans proline' 0 CA--C 1.553 1.441 0 C-N-CA 123.436 2.757 . . . . 0.0 115.914 -179.313 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.362 1.147 0 CA-C-N 119.1 0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 092 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 . . . . . . . . . 0 0 . 1 . 092 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -70.44 -56.65 6.12 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 117.831 2.53 . . . . 0.0 117.831 -179.488 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -136.73 155.56 49.68 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.425 1.466 . . . . 0.0 113.583 -177.705 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.18 -42.57 99.39 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -179.835 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -50.9 -30.5 14.84 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.356 1.863 . . . . 0.0 113.743 -178.288 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.4 p -111.43 -35.42 5.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.024 1.329 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.82 -44.69 72.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.662 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.23 -43.96 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.443 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.31 -47.78 84.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 110.976 177.007 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.15 98.22 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-O 118.44 -1.2 . . . . 0.0 113.159 177.575 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -66.15 -43.75 86.12 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.146 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.8 tp -58.97 -46.24 88.57 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.327 0.651 . . . . 0.0 109.279 177.185 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -58.84 -46.06 88.59 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.843 -1.16 . . . . 0.0 110.591 177.591 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -58.58 -55.23 37.79 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.416 1.086 . . . . 0.0 111.06 178.065 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.0 -41.15 95.98 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.317 -0.865 . . . . 0.0 111.45 179.179 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.7 -36.88 84.89 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.916 -1.115 . . . . 0.0 109.635 178.344 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -67.76 -34.24 76.42 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.368 -1.457 . . . . 0.0 108.96 178.262 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -64.74 -42.84 94.88 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.967 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.62 -41.28 90.07 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.717 178.428 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.2 -40.38 89.89 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.072 1.305 . . . . 0.0 109.304 178.106 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -68.08 -41.29 82.11 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.743 1.217 . . . . 0.0 109.85 177.85 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -61.07 -36.23 79.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.233 1.013 . . . . 0.0 109.598 178.702 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.349 0.977 . . . . 0.0 108.944 178.309 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.79 91.21 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 119.67 1.123 . . . . 0.0 108.875 177.033 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.8 m -64.72 -35.14 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.068 0.855 . . . . 0.0 109.322 -179.759 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.49 -45.82 82.13 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.622 -1.299 . . . . 0.0 110.608 177.92 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -58.21 -39.4 78.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.524 1.13 . . . . 0.0 112.17 178.51 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -24.75 20.44 Favored Glycine 0 N--CA 1.468 0.819 0 N-CA-C 116.989 1.556 . . . . 0.0 116.989 -178.35 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -136.77 -47.87 0.61 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -177.228 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.69 -25.02 58.06 Favored Glycine 0 N--CA 1.486 1.97 0 C-N-CA 126.664 2.078 . . . . 0.0 117.582 -177.602 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.415 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 90.6 m -106.19 -48.66 0.11 Allowed Pre-proline 0 N--CA 1.503 2.225 0 CA-C-O 116.639 -1.648 . . . . 0.0 109.441 179.702 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 51.4 Cg_exo -61.0 -21.75 72.51 Favored 'Trans proline' 0 CA--C 1.579 2.765 0 C-N-CA 123.857 3.038 . . . . 0.0 114.83 178.362 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.925 0 CA-C-N 117.806 0.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 093 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 093 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -50.94 -67.7 0.23 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -176.709 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -139.48 150.66 45.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.206 0.912 . . . . 0.0 111.22 178.047 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.08 -38.91 89.46 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -177.501 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -52.93 -34.39 55.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.605 1.562 . . . . 0.0 113.266 -178.435 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 p -102.49 -33.07 9.65 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.197 0.999 . . . . 0.0 113.077 176.803 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.94 -42.29 97.36 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.198 -178.229 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.32 -58.53 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.503 1.047 . . . . 0.0 110.902 178.208 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.11 -42.84 91.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.574 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.41 -48.65 74.26 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.199 0.904 . . . . 0.0 111.356 177.744 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.35 -46.37 86.9 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.06 177.172 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.05 -45.3 75.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.055 0.843 . . . . 0.0 112.143 177.329 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.19 -40.4 93.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.3 1.04 . . . . 0.0 111.154 177.328 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -65.43 -45.66 82.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.549 0.74 . . . . 0.0 109.662 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.26 -35.87 82.24 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.443 -0.786 . . . . 0.0 110.181 176.982 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.23 -40.19 90.09 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.865 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -66.04 -39.86 90.51 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.15 -40.81 74.41 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.893 0.877 . . . . 0.0 110.353 176.445 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.1 mt -55.76 -39.39 71.15 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.933 0.788 . . . . 0.0 110.009 179.577 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -63.36 -45.56 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.856 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -40.37 97.06 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 111.176 177.619 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.1 m-30 -62.85 -47.07 84.99 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.162 0.985 . . . . 0.0 110.245 176.0 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.26 -43.92 92.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.573 1.549 . . . . 0.0 111.063 177.61 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.39 81.53 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -61.41 -40.13 93.3 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 111.94 177.533 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -64.03 -49.48 72.22 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.452 1.101 . . . . 0.0 111.857 176.017 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.8 m -63.42 -40.19 96.52 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.501 1.12 . . . . 0.0 111.626 178.865 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.63 -13.06 68.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 -178.001 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -156.84 -42.93 0.07 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.878 1.839 . . . . 0.0 115.128 -179.131 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.63 -63.79 4.91 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.718 1.151 . . . . 0.0 115.584 -177.473 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.422 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 61.8 m -67.12 -50.34 41.34 Favored Pre-proline 0 N--CA 1.471 0.6 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.851 177.749 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 54.0 Cg_exo -51.03 -48.3 21.67 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.941 2.427 . . . . 0.0 113.949 178.268 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 120.874 -1.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 094 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 094 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -53.21 -55.04 27.52 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -176.567 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -130.87 141.97 50.34 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.985 0.914 . . . . 0.0 110.835 178.895 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.34 -52.6 45.43 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -177.481 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -43.04 -46.52 5.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.448 1.899 . . . . 0.0 114.701 -178.113 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -81.98 -43.59 17.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.784 0.802 . . . . 0.0 112.082 177.931 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -55.19 -57.76 10.44 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -178.056 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -44.62 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 120.184 1.356 . . . . 0.0 114.239 -178.301 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.84 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.933 1.242 . . . . 0.0 110.071 177.321 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.91 98.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 177.273 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -62.83 -46.71 86.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.151 -0.928 . . . . 0.0 108.829 177.148 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.08 -44.26 78.8 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.03 0.832 . . . . 0.0 109.922 177.566 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.62 -47.13 85.4 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.963 0.801 . . . . 0.0 110.184 177.371 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.15 -36.38 79.57 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 179.618 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -66.94 -40.94 87.68 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.238 1.381 . . . . 0.0 108.389 176.872 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 120.22 -1.55 . . . . 0.0 108.991 176.327 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.38 -39.5 92.33 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 177.475 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -61.92 -39.84 93.43 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.965 -1.084 . . . . 0.0 109.824 175.46 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.7 -40.46 88.01 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.135 0.88 . . . . 0.0 109.694 175.771 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.41 -40.28 96.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.018 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -65.01 -37.6 88.16 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.759 1.224 . . . . 0.0 110.84 176.346 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -66.05 -46.73 76.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.779 1.231 . . . . 0.0 108.606 177.353 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.28 -47.61 83.1 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.358 0.981 . . . . 0.0 110.038 178.29 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.29 48.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.758 0.823 . . . . 0.0 110.456 177.52 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -57.52 -36.63 71.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.349 1.06 . . . . 0.0 112.181 178.002 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -68.15 -46.56 70.44 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.425 -0.797 . . . . 0.0 111.357 177.054 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.8 m -61.06 -34.21 74.54 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.894 1.678 . . . . 0.0 112.189 178.858 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.18 -16.34 25.56 Favored Glycine 0 CA--C 1.541 1.669 0 N-CA-C 117.012 1.565 . . . . 0.0 117.012 -178.972 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -152.96 -36.34 0.11 Allowed 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -178.155 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.47 -49.53 64.58 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 117.848 -1.529 . . . . 0.0 115.645 -177.527 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.412 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 22.6 m -60.77 -52.94 68.94 Favored Pre-proline 0 N--CA 1.491 1.621 0 CA-C-N 119.176 1.488 . . . . 0.0 110.633 177.435 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 53.2 Cg_exo -58.27 -38.32 91.39 Favored 'Trans proline' 0 CA--C 1.55 1.293 0 C-N-CA 122.199 1.933 . . . . 0.0 112.197 -179.968 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 119.115 0.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 095 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 095 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.25 -47.52 9.37 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -178.327 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -140.66 165.44 27.48 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 126.241 1.816 . . . . 0.0 109.906 177.119 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.3 mt -81.98 -52.63 6.86 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.192 -0.943 . . . . 0.0 112.965 178.806 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -39.34 -64.42 0.47 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.001 2.12 . . . . 0.0 115.497 -177.203 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.4 p -74.62 -25.57 59.32 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.209 -0.932 . . . . 0.0 111.691 -179.198 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.86 -43.25 84.07 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.613 -1.305 . . . . 0.0 109.717 178.18 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.06 -53.82 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.436 1.495 . . . . 0.0 109.097 177.286 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 tp -56.39 -46.79 79.94 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.664 0.786 . . . . 0.0 111.846 178.748 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.69 -49.62 75.56 Favored Glycine 0 CA--C 1.544 1.876 0 C-N-CA 124.577 1.084 . . . . 0.0 110.402 179.27 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.19 -42.35 99.33 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.086 177.163 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.07 -48.97 72.79 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.762 1.619 . . . . 0.0 109.84 177.29 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -64.75 -46.84 80.5 Favored 'General case' 0 C--O 1.245 0.86 0 O-C-N 121.422 -0.799 . . . . 0.0 109.742 179.536 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -62.35 -45.49 92.94 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 119.831 -1.793 . . . . 0.0 111.645 -179.595 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.98 -34.3 77.78 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 -179.465 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.7 -38.7 87.27 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 119.679 -1.888 . . . . 0.0 108.833 176.761 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.49 -41.54 96.4 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.126 177.013 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.51 -40.76 97.89 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 120.798 -1.189 . . . . 0.0 108.946 177.471 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.21 -45.51 83.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.818 0.847 . . . . 0.0 108.748 177.059 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.35 -37.38 85.43 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.694 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -66.1 -41.41 90.66 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.346 1.058 . . . . 0.0 111.377 177.633 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.57 -41.55 92.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.392 1.451 . . . . 0.0 108.584 176.616 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.45 -39.96 92.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.011 0.924 . . . . 0.0 110.083 177.164 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.35 82.13 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.974 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.4 m -59.51 -40.67 87.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.883 1.673 . . . . 0.0 109.326 177.159 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -68.54 -43.27 77.05 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.892 -1.13 . . . . 0.0 110.353 177.918 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.1 m -65.26 -34.81 79.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.31 1.444 . . . . 0.0 114.383 177.5 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.62 -14.52 37.37 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.92 1.528 . . . . 0.0 116.92 179.425 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 m -144.27 -49.76 0.28 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.14 1.47 . . . . 0.0 114.222 -177.877 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.19 -60.67 8.52 Favored Glycine 0 CA--C 1.551 2.315 0 C-N-CA 124.848 1.213 . . . . 0.0 115.351 -175.944 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -70.73 -47.48 16.58 Favored Pre-proline 0 N--CA 1.492 1.627 0 CA-C-O 116.89 -1.528 . . . . 0.0 111.314 177.776 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -57.35 -32.17 93.1 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 C-N-CA 123.261 2.641 . . . . 0.0 113.921 178.828 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 120.702 1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 096 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 096 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.33 -73.38 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 -178.177 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -131.93 149.32 52.47 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.627 1.171 . . . . 0.0 112.373 -177.537 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.22 -49.7 76.09 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.154 0.981 . . . . 0.0 113.581 -178.937 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -50.38 -49.02 55.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.792 1.237 . . . . 0.0 112.248 -175.149 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -82.46 -36.64 26.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 177.223 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.51 -49.09 70.25 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.83 -1.169 . . . . 0.0 112.47 -178.409 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.05 -49.16 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 120.855 -1.153 . . . . 0.0 110.353 177.537 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tp -54.92 -52.6 62.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.486 1.114 . . . . 0.0 111.222 177.381 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.86 -48.55 84.88 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.68 1.609 . . . . 0.0 112.093 178.068 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.71 -47.06 86.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.495 1.147 . . . . 0.0 110.913 177.305 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.65 -50.16 70.97 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.615 1.098 . . . . 0.0 109.512 177.272 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.1 -42.39 98.43 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 120.821 -1.175 . . . . 0.0 110.507 178.288 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -63.72 -45.7 88.76 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 120.687 -1.258 . . . . 0.0 110.8 177.121 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -61.38 -37.07 82.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 121.601 2.001 . . . . 0.0 107.925 177.981 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.43 -35.25 78.87 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.161 -0.962 . . . . 0.0 108.407 178.591 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -68.09 -37.49 81.26 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.874 0.87 . . . . 0.0 109.112 177.355 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.48 -46.37 86.49 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.322 -1.486 . . . . 0.0 107.201 176.234 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.81 -43.85 85.99 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.968 1.307 . . . . 0.0 109.705 176.966 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.74 -39.04 92.86 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.137 0.975 . . . . 0.0 109.268 177.13 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.0 m -65.61 -42.61 91.4 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.148 1.379 . . . . 0.0 109.615 177.205 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -64.96 -41.83 95.13 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 120.988 -1.07 . . . . 0.0 108.986 178.11 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.97 -42.3 99.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.588 1.155 . . . . 0.0 110.446 178.091 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.33 -49.35 74.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.064 0.946 . . . . 0.0 108.935 177.586 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.5 m -57.46 -43.14 83.75 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.101 1.36 . . . . 0.0 110.723 177.141 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.21 -39.89 89.94 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.316 -0.865 . . . . 0.0 111.787 177.21 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -70.69 -33.99 71.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.31 1.044 . . . . 0.0 113.122 178.124 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 -23.45 31.3 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 115.679 1.031 . . . . 0.0 115.679 179.493 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 m -147.84 -39.87 0.18 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.276 1.538 . . . . 0.0 115.063 -177.483 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.13 -60.34 9.1 Favored Glycine 0 CA--C 1.543 1.793 0 CA-C-N 120.162 1.346 . . . . 0.0 115.485 -178.428 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.401 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 37.6 m -74.0 -47.01 6.58 Favored Pre-proline 0 N--CA 1.469 0.523 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.104 177.973 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 27.7 Cg_exo -65.41 -8.08 17.87 Favored 'Trans proline' 0 CA--C 1.561 1.87 0 C-N-CA 123.843 3.029 . . . . 0.0 115.989 177.881 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.988 0 O-C-N 118.263 -2.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 097 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 097 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -40.74 -58.57 1.61 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.114 2.566 . . . . 0.0 116.172 -175.873 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -126.88 155.2 43.36 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.095 0.958 . . . . 0.0 111.363 176.297 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -71.99 -62.4 1.44 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 117.942 -1.027 . . . . 0.0 112.782 -179.518 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -35.45 -61.54 0.44 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.047 1.739 . . . . 0.0 115.682 -177.055 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.6 p -64.71 -45.91 84.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.947 -0.471 . . . . 0.0 111.664 179.989 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.0 t -58.83 -38.05 77.81 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.959 1.304 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.66 -52.92 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.608 1.563 . . . . 0.0 110.123 177.233 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.63 -45.16 89.85 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.167 0.587 . . . . 0.0 111.716 178.041 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.59 -52.66 51.76 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.347 1.451 . . . . 0.0 111.916 175.786 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.585 1.192 . . . . 0.0 111.028 177.176 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.29 -47.7 80.79 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.578 1.081 . . . . 0.0 110.437 177.981 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -62.72 -44.58 95.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.059 -0.972 . . . . 0.0 111.877 176.813 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.86 -45.71 81.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.734 1.152 . . . . 0.0 111.429 -179.629 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -61.62 -40.17 93.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.944 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.29 -34.79 78.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.706 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -62.94 -35.42 80.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.995 1.718 . . . . 0.0 110.124 178.187 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.07 -43.0 96.77 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.496 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.03 -46.66 83.43 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 119.278 0.944 . . . . 0.0 109.933 176.887 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -57.0 -34.61 68.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.595 1.558 . . . . 0.0 111.503 177.47 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -66.96 -49.34 65.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.151 0.981 . . . . 0.0 108.715 178.034 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -63.36 -37.58 87.82 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.652 -0.655 . . . . 0.0 111.442 177.118 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.25 -51.64 62.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.73 1.212 . . . . 0.0 110.272 176.986 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.86 74.85 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.128 0.876 . . . . 0.0 110.204 177.626 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.7 m -62.14 -38.83 90.45 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.528 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.63 -40.92 80.12 Favored 'General case' 0 CA--C 1.553 1.062 0 O-C-N 121.042 -1.036 . . . . 0.0 109.551 177.899 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -61.09 -50.88 71.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.497 1.519 . . . . 0.0 111.272 178.695 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.04 -15.79 71.48 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 -177.098 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -139.34 -53.72 0.56 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.363 -1.669 . . . . 0.0 112.463 -176.637 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.84 -56.08 6.89 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.221 1.391 . . . . 0.0 116.221 -177.494 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -53.72 1.01 Allowed Pre-proline 0 N--CA 1.484 1.228 0 CA-C-N 118.998 1.399 . . . . 0.0 113.193 -178.73 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -56.96 -31.59 90.19 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 123.355 2.703 . . . . 0.0 115.353 179.177 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.113 0 O-C-N 120.812 -1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 098 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.498 1.926 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 098 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -36.83 -63.63 0.4 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.639 2.775 . . . . 0.0 116.896 -177.042 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -129.78 145.25 51.57 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 125.177 1.391 . . . . 0.0 108.737 178.691 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.1 tp -68.44 -45.98 71.06 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.942 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -47.32 -63.17 1.12 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.342 1.457 . . . . 0.0 114.165 -179.935 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -63.43 -41.75 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.363 0.529 . . . . 0.0 111.55 -178.89 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.16 -46.66 89.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.876 1.271 . . . . 0.0 112.489 -178.299 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.06 -51.08 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 117.951 -1.024 . . . . 0.0 111.132 177.466 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.66 -50.79 71.03 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 111.977 178.415 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.3 -48.01 65.97 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.91 0.767 . . . . 0.0 112.416 177.587 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.13 -44.5 95.41 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 117.76 0.78 . . . . 0.0 111.29 177.088 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.85 -50.8 71.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.42 0.688 . . . . 0.0 110.807 177.482 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -62.5 -34.91 77.82 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.517 177.318 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.89 -49.22 68.83 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.421 1.009 . . . . 0.0 110.918 177.496 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -62.5 -38.3 89.37 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.891 -1.131 . . . . 0.0 110.423 176.505 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.24 -39.52 86.99 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.979 -1.076 . . . . 0.0 110.4 175.897 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.29 -37.47 87.62 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.91 1.284 . . . . 0.0 109.508 178.814 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -63.99 -45.63 88.16 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 176.618 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.32 -37.86 73.18 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.625 0.77 . . . . 0.0 109.667 177.438 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -63.82 -39.18 93.62 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.754 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.8 m -65.04 -42.53 94.22 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.626 0.771 . . . . 0.0 110.233 177.169 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -64.02 -41.65 97.37 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 121.043 -1.036 . . . . 0.0 111.756 176.74 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.47 -50.4 69.86 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.419 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.11 72.65 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.311 1.044 . . . . 0.0 111.36 176.788 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.3 m -60.45 -40.77 92.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.035 1.334 . . . . 0.0 109.998 176.144 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -68.95 -53.81 18.8 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.362 0.665 . . . . 0.0 111.607 176.592 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -61.21 -44.63 96.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.712 -1.242 . . . . 0.0 113.063 -178.413 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.51 -10.92 67.1 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.397 1.475 . . . . 0.0 116.629 -177.451 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -144.16 -40.97 0.27 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.78 1.79 . . . . 0.0 114.013 178.355 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.69 -42.01 97.7 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 123.506 0.574 . . . . 0.0 114.415 178.93 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -79.09 -53.31 1.12 Allowed Pre-proline 0 N--CA 1.481 1.094 0 CA-C-O 116.869 -1.538 . . . . 0.0 112.513 177.558 . . . . . . . . 3 3 . 1 . 098 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.463 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 36.3 Cg_exo -59.73 -37.3 88.04 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.534 2.156 . . . . 0.0 114.371 179.88 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 120.97 -1.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 099 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.221 -0.406 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 099 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -52.59 -20.28 2.9 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 -176.673 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -145.54 151.25 37.84 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.612 1.565 . . . . 0.0 111.061 176.62 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tp -81.77 -45.05 16.17 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 178.956 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -41.48 -70.53 0.1 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 129.703 3.201 . . . . 0.0 115.449 -176.543 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.7 p -75.74 -21.97 56.97 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 177.752 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -68.97 -44.88 72.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.66 0.784 . . . . 0.0 110.771 178.02 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.26 -50.72 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 117.523 -1.227 . . . . 0.0 110.042 177.496 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.52 -47.64 78.93 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.003 0.82 . . . . 0.0 111.228 177.439 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.08 -51.52 49.67 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 124.151 0.882 . . . . 0.0 111.364 177.131 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.02 -45.1 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.846 177.208 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.98 -54.87 37.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.191 0.996 . . . . 0.0 111.396 177.929 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.0 m -63.86 -39.47 94.27 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.564 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -67.67 -48.23 67.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.137 0.88 . . . . 0.0 112.917 178.635 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.79 -42.07 99.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.402 1.001 . . . . 0.0 110.683 177.049 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -62.13 -44.49 96.52 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.77 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.41 -40.52 96.78 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.706 -1.247 . . . . 0.0 110.18 179.975 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -59.18 -48.32 82.06 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.888 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.26 -44.19 92.42 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.88 177.154 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -58.59 -42.32 87.8 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.169 0.988 . . . . 0.0 110.273 176.432 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -67.84 -37.72 82.26 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.862 0.865 . . . . 0.0 109.103 -176.994 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -67.74 -43.74 79.2 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.812 -1.18 . . . . 0.0 107.922 177.727 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.02 -42.4 94.26 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.276 1.43 . . . . 0.0 111.311 177.575 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -43.56 78.67 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.622 1.101 . . . . 0.0 110.612 177.733 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -66.97 -39.24 87.16 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.907 0.883 . . . . 0.0 110.25 177.404 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.35 -49.19 76.56 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.153 0.981 . . . . 0.0 110.722 177.587 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -69.36 -38.97 78.32 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.711 -0.618 . . . . 0.0 111.121 -179.227 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.9 -27.4 50.36 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 116.521 1.369 . . . . 0.0 116.521 -177.427 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 m -135.72 -39.01 0.72 Allowed 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.189 1.495 . . . . 0.0 113.904 -178.401 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.88 -41.57 98.7 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 117.054 1.581 . . . . 0.0 117.054 -177.793 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.441 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 16.8 m -76.15 -46.04 3.67 Favored Pre-proline 0 N--CA 1.486 1.369 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.405 177.223 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 47.7 Cg_exo -62.7 -31.6 78.87 Favored 'Trans proline' 0 CA--C 1.561 1.866 0 C-N-CA 123.382 2.721 . . . . 0.0 114.919 175.417 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.09 0 CA-C-N 120.827 1.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 100 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 100 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -49.62 -67.92 0.22 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 117.385 2.365 . . . . 0.0 117.385 -178.254 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -100.05 154.52 18.34 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 120.329 -1.482 . . . . 0.0 110.37 178.406 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.05 -58.03 3.03 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.73 0.812 . . . . 0.0 112.305 -179.561 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -41.16 -68.25 0.2 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.137 2.175 . . . . 0.0 116.114 -177.461 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.253 24.9 p -73.52 -19.24 60.96 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.157 1.344 . . . . 0.0 113.328 -179.539 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.76 -43.08 69.55 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.323 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.06 -51.95 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.314 1.445 . . . . 0.0 108.591 177.079 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 mt -56.22 -45.61 79.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.486 1.039 . . . . 0.0 112.793 177.704 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.3 -47.69 88.1 Favored Glycine 0 N--CA 1.472 1.054 0 CA-C-N 119.347 0.976 . . . . 0.0 112.382 177.443 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.66 -44.21 87.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.04 -0.682 . . . . 0.0 110.131 177.518 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.5 -44.28 84.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.27 1.428 . . . . 0.0 109.459 177.027 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.7 m -60.98 -39.67 90.5 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 117.439 -1.267 . . . . 0.0 109.352 179.805 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.06 -48.48 73.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.077 1.308 . . . . 0.0 109.718 176.899 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -65.31 -37.28 86.65 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.556 -1.34 . . . . 0.0 109.874 -179.364 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.04 -42.11 85.39 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 124.604 1.162 . . . . 0.0 108.366 177.534 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -63.52 -36.83 85.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.977 1.311 . . . . 0.0 109.438 177.444 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -65.19 -50.33 66.34 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.146 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -56.67 -46.17 81.27 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.817 1.247 . . . . 0.0 111.045 177.026 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.53 -44.14 97.08 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.083 -0.96 . . . . 0.0 109.484 177.276 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 m -66.09 -38.01 87.18 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.717 1.207 . . . . 0.0 110.425 178.408 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.517 1.053 . . . . 0.0 108.182 178.421 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 mt -58.26 -54.52 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.188 1.395 . . . . 0.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.75 -46.68 70.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.606 1.162 . . . . 0.0 111.571 178.53 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -64.35 -37.11 86.36 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.337 -1.477 . . . . 0.0 111.129 177.671 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -64.07 -45.75 87.39 Favored 'General case' 0 C--O 1.242 0.671 0 O-C-N 120.377 -1.452 . . . . 0.0 110.931 176.26 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -66.47 -44.47 82.65 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.122 -1.611 . . . . 0.0 114.422 176.916 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.74 -25.41 38.52 Favored Glycine 0 CA--C 1.542 1.726 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 -177.67 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -125.72 -47.6 1.68 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.345 1.073 . . . . 0.0 112.147 -179.274 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.59 -43.97 85.97 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 -176.827 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -83.69 -52.25 0.6 Allowed Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 118.284 1.042 . . . . 0.0 112.731 177.915 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.81 -31.58 92.71 Favored 'Trans proline' 0 CA--C 1.557 1.655 0 C-N-CA 122.448 2.099 . . . . 0.0 115.18 178.692 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.733 0 CA-C-N 119.926 1.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.69 -49.7 76.72 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.127 1.371 . . . . 0.0 112.132 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.8 p -65.56 -32.5 74.12 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.223 -0.923 . . . . 0.0 111.278 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -44.73 86.35 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.927 0.785 . . . . 0.0 109.047 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.02 -47.29 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.898 0.879 . . . . 0.0 109.151 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.12 -36.49 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.313 1.045 . . . . 0.0 112.275 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.51 57.68 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 125.561 1.553 . . . . 0.0 109.924 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.83 -48.09 82.54 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.882 -1.364 . . . . 0.0 109.325 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.42 -34.17 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.022 0.828 . . . . 0.0 111.343 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 m -61.63 -40.97 96.75 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.612 -1.305 . . . . 0.0 109.546 175.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -70.61 -39.87 73.5 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.71 -39.17 93.19 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 120.475 1.489 . . . . 0.0 108.555 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.43 -43.85 84.55 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.511 1.524 . . . . 0.0 106.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -59.71 -45.25 92.71 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.68 1.127 . . . . 0.0 111.38 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.328 2.7 pp -63.51 -35.51 80.7 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.09 1.314 . . . . 0.0 111.813 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.59 -43.96 88.09 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.924 -1.11 . . . . 0.0 108.984 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -59.29 -45.16 92.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.77 1.628 . . . . 0.0 109.539 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.21 -49.58 76.58 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.846 0.859 . . . . 0.0 111.04 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.88 -51.69 68.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.801 0.841 . . . . 0.0 111.245 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.31 94.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 112.82 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 m -65.27 -45.85 82.85 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.033 -1.042 . . . . 0.0 110.764 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.61 -39.1 93.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.816 0.846 . . . . 0.0 112.379 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -74.48 -44.24 52.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.673 0.789 . . . . 0.0 111.762 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.14 -28.28 60.59 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 115.786 1.075 . . . . 0.0 115.786 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -148.52 -36.58 0.19 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.096 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -176.491 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -60.08 -43.17 95.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.761 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -65.46 -30.03 70.76 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.543 1.519 . . . . 0.0 111.755 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -41.71 77.67 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.32 -42.62 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.79 -29.09 70.05 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.032 0.933 . . . . 0.0 109.256 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.17 26.28 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.31 -48.07 79.9 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.273 1.037 . . . . 0.0 109.357 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -58.59 -43.28 89.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.684 1.194 . . . . 0.0 110.524 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.2 m -61.15 -41.61 97.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 118.86 -0.59 . . . . 0.0 110.567 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.47 -40.41 81.02 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 118.625 -0.702 . . . . 0.0 110.515 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.13 -37.6 87.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 119.38 0.991 . . . . 0.0 109.323 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.67 -41.25 88.43 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.721 1.209 . . . . 0.0 109.277 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -62.34 -47.37 84.51 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.058 0.943 . . . . 0.0 110.14 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -54.21 -48.33 71.14 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.63 1.105 . . . . 0.0 110.898 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.29 4.3 pp -67.7 -34.63 77.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.654 -0.688 . . . . 0.0 111.637 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.43 -38.08 89.77 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.942 1.246 . . . . 0.0 108.996 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 m -64.14 -44.69 91.4 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.98 -41.96 84.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 117.513 -1.232 . . . . 0.0 111.238 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.96 -43.9 97.88 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 110.637 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.03 -48.5 81.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.671 0.788 . . . . 0.0 111.459 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -61.65 -44.98 95.96 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.518 -1.364 . . . . 0.0 110.723 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -63.29 -42.43 99.06 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.089 0.955 . . . . 0.0 112.775 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -74.49 -35.1 63.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.191 0.996 . . . . 0.0 112.83 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.11 -27.55 30.73 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -144.77 -34.0 0.37 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.565 0 CA-C-O 118.098 -1.39 . . . . 0.0 112.546 -176.806 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -60.06 -44.2 94.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.215 1.806 . . . . 0.0 112.828 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -66.04 -25.58 67.11 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.008 1.276 . . . . 0.0 110.66 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -34.31 74.68 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.932 1.242 . . . . 0.0 107.938 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.5 t -70.15 -40.5 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.386 -1.446 . . . . 0.0 107.498 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.65 -36.42 76.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.3 -40.76 91.96 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 127.111 2.291 . . . . 0.0 109.48 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.85 -51.93 65.09 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.426 1.613 . . . . 0.0 107.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.42 -38.98 72.3 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.994 0.815 . . . . 0.0 111.165 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -67.41 -35.11 78.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.616 1.167 . . . . 0.0 110.048 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -71.18 -40.96 70.94 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.93 -35.3 80.71 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.132 1.333 . . . . 0.0 107.84 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -65.56 -45.0 85.03 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -60.99 -40.7 94.48 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.588 1.155 . . . . 0.0 109.341 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -62.55 -50.17 72.38 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.811 -1.181 . . . . 0.0 109.141 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.341 2.3 pp -63.73 -31.93 73.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.313 0.96 . . . . 0.0 110.935 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.27 -41.15 85.99 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.8 m -68.43 -40.36 81.22 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.07 0.85 . . . . 0.0 109.527 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.22 -51.19 70.33 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.1 -52.34 65.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.575 1.15 . . . . 0.0 112.171 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.19 94.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.158 1.383 . . . . 0.0 113.294 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.8 m -62.79 -44.8 95.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.318 1.047 . . . . 0.0 109.655 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -63.21 -55.09 27.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.241 1.416 . . . . 0.0 111.386 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.7 p -66.0 -30.19 70.69 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.552 1.069 . . . . 0.0 111.72 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.69 -23.53 55.75 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 118.643 -1.087 . . . . 0.0 114.314 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -161.18 -43.34 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 0 C-N-CA 125.797 1.665 . . . . 0.0 117.114 -177.456 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 m -59.47 -44.6 92.99 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.884 0.874 . . . . 0.0 112.477 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.3 p -66.8 -26.62 67.03 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.61 1.095 . . . . 0.0 110.779 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -35.78 67.94 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.456 1.026 . . . . 0.0 108.433 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.56 -40.13 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.95 -30.71 71.77 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.34 -47.33 80.69 Favored Glycine 0 C--N 1.346 1.126 0 C-N-CA 125.403 1.478 . . . . 0.0 109.994 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.12 -48.03 83.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.911 0.885 . . . . 0.0 108.725 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.26 -39.3 82.41 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.712 0.805 . . . . 0.0 110.806 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -64.68 -39.02 92.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.537 0.735 . . . . 0.0 109.235 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.87 -40.66 83.58 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.189 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.85 -36.41 83.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.172 1.351 . . . . 0.0 109.437 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.05 -43.0 79.66 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -64.86 -34.37 78.22 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.498 -0.751 . . . . 0.0 110.474 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.3 -50.43 70.11 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.229 -1.544 . . . . 0.0 107.455 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 2.6 pp -64.25 -35.35 80.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.179 0.9 . . . . 0.0 111.321 177.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.24 -35.08 79.67 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.871 1.214 . . . . 0.0 108.993 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 m -66.27 -47.02 75.05 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -60.36 -39.98 89.12 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 111.393 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -64.48 -40.71 96.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.13 0.972 . . . . 0.0 110.021 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.34 94.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.009 0.924 . . . . 0.0 109.135 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.0 m -62.2 -48.64 79.1 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.512 -0.742 . . . . 0.0 109.804 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.45 -39.72 80.63 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.042 1.337 . . . . 0.0 112.794 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.6 p -78.56 -43.07 27.51 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -27.52 48.09 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -145.34 -27.21 0.46 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.366 0 CA-C-N 119.655 1.116 . . . . 0.0 114.177 -178.668 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -60.72 -47.34 86.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.615 1.166 . . . . 0.0 111.251 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.6 p -67.09 -27.91 67.74 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.562 1.528 . . . . 0.0 110.196 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -38.83 74.6 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.28 -40.53 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.51 -36.86 81.7 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.651 1.569 . . . . 0.0 108.655 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.4 92.14 Favored Glycine 0 CA--C 1.547 2.038 0 N-CA-C 108.069 -2.012 . . . . 0.0 108.069 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -63.08 -42.16 99.58 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.969 1.385 . . . . 0.0 108.858 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.29 -33.34 75.6 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.012 1.278 . . . . 0.0 109.228 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.5 m -69.74 -36.44 75.85 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.09 -38.58 79.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.177 1.391 . . . . 0.0 108.451 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.68 -35.97 81.4 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.993 1.27 . . . . 0.0 108.931 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 tp -67.3 -45.2 77.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.9 1.28 . . . . 0.0 108.351 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -65.29 -39.28 92.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.188 0.995 . . . . 0.0 110.886 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -59.23 -56.05 27.04 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.091 1.756 . . . . 0.0 108.366 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.308 3.6 pp -60.64 -37.13 80.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.92 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.95 -32.85 74.37 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.112 1.323 . . . . 0.0 108.685 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -70.33 -42.17 72.25 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.462 1.505 . . . . 0.0 108.172 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.18 -40.99 97.28 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.446 -0.783 . . . . 0.0 109.002 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.84 -43.03 99.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.647 1.179 . . . . 0.0 109.623 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.18 86.21 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.236 0.925 . . . . 0.0 110.68 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 m -67.37 -39.07 85.64 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.848 0.859 . . . . 0.0 109.276 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -43.49 81.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.048 1.739 . . . . 0.0 113.094 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.5 p -73.37 -35.14 65.9 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.71 1.141 . . . . 0.0 111.237 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.85 -33.91 35.88 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 120.8 -1.187 . . . . 0.0 115.523 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.4 p -145.06 -40.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 -178.195 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -56.06 -51.45 67.79 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.037 1.335 . . . . 0.0 112.113 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -65.86 -30.01 70.55 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.599 1.09 . . . . 0.0 110.879 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -39.12 75.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.165 0.893 . . . . 0.0 110.394 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.56 -53.74 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.038 1.335 . . . . 0.0 107.784 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.4 -35.25 69.79 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.352 0.978 . . . . 0.0 110.95 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.47 70.65 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.834 1.683 . . . . 0.0 109.455 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.82 -41.18 97.92 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.295 1.048 . . . . 0.0 110.165 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.42 -42.07 98.16 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.371 0.987 . . . . 0.0 108.349 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -65.01 -35.26 80.62 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.925 1.29 . . . . 0.0 111.017 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.81 -50.97 53.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.078 1.351 . . . . 0.0 108.481 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.44 -32.94 74.53 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.525 1.057 . . . . 0.0 110.169 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.17 -42.56 93.56 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.418 1.087 . . . . 0.0 108.151 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.09 -39.4 89.97 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.159 -0.963 . . . . 0.0 109.834 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.78 -52.52 62.88 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.689 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -61.23 -35.82 78.26 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.408 1.458 . . . . 0.0 111.172 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.17 -35.43 80.77 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.23 1.377 . . . . 0.0 109.076 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.04 -41.68 73.91 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.441 1.496 . . . . 0.0 110.209 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.2 -43.64 97.59 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.84 -41.02 99.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 108.096 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.651 1.18 . . . . 0.0 108.971 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -68.81 -45.11 72.09 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.635 0.774 . . . . 0.0 108.988 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.28 -38.36 83.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.814 1.246 . . . . 0.0 112.415 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 p -82.46 -29.45 30.61 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.105 0.962 . . . . 0.0 113.447 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 -40.62 10.05 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 119.626 1.103 . . . . 0.0 114.75 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -132.44 -37.3 1.08 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.856 0 N-CA-C 116.704 1.441 . . . . 0.0 116.704 -177.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -49.33 73.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.793 1.237 . . . . 0.0 111.396 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -65.6 -29.24 69.81 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.679 1.127 . . . . 0.0 110.892 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -45.33 78.2 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.14 -38.47 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.6 tp -62.68 -35.66 80.4 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.964 0.802 . . . . 0.0 109.15 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.49 67.34 Favored Glycine 0 N--CA 1.466 0.653 0 C-N-CA 125.059 1.314 . . . . 0.0 109.964 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.64 -46.83 87.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.945 1.698 . . . . 0.0 108.618 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -41.92 98.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 109.705 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -62.0 -34.07 75.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.941 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -69.66 -40.74 76.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.213 0.915 . . . . 0.0 109.472 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.84 -37.07 86.38 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.617 1.099 . . . . 0.0 108.215 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.83 -42.98 94.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.689 1.196 . . . . 0.0 109.477 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -61.08 -41.06 95.93 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.704 1.602 . . . . 0.0 110.0 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.4 -55.12 34.96 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.221 1.008 . . . . 0.0 109.174 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.31 3.3 pp -63.95 -30.99 72.03 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -64.94 -38.72 91.91 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.809 1.186 . . . . 0.0 108.913 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -63.08 -45.19 93.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.533 1.133 . . . . 0.0 109.779 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -62.69 -42.62 99.73 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.624 -0.672 . . . . 0.0 110.436 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.86 -46.49 89.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.633 1.173 . . . . 0.0 110.485 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.52 93.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.083 0.953 . . . . 0.0 111.466 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -64.25 -42.18 96.62 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.535 -0.728 . . . . 0.0 109.767 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.13 -43.44 98.38 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.389 -0.82 . . . . 0.0 112.821 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -78.01 -16.56 57.99 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.557 1.072 . . . . 0.0 113.814 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.85 -46.78 4.71 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.334 1.445 . . . . 0.0 113.925 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.3 p -131.54 -30.23 1.69 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 C-N-CA 124.226 0.917 . . . . 0.0 114.792 -177.762 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -58.28 -44.24 88.38 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.584 1.153 . . . . 0.0 113.014 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.3 p -65.39 -35.17 80.13 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.26 0.936 . . . . 0.0 110.061 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -35.49 76.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.751 -1.218 . . . . 0.0 109.936 177.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.24 -46.65 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.2 -37.34 79.97 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 0.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -45.13 88.82 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.35 -42.26 98.91 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.228 1.514 . . . . 0.0 110.554 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.08 -45.03 94.27 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.183 0.993 . . . . 0.0 108.495 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 m -63.07 -37.59 87.81 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.46 1.104 . . . . 0.0 111.406 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.64 -45.01 65.96 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 117.604 -1.189 . . . . 0.0 110.951 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -61.08 -37.52 82.97 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 121.437 1.926 . . . . 0.0 108.795 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.84 -49.72 71.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.58 -39.56 84.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.085 -1.635 . . . . 0.0 111.076 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.79 -54.05 47.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.764 0.826 . . . . 0.0 110.002 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.1 pp -64.5 -33.7 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.59 1.086 . . . . 0.0 113.02 177.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.68 -38.39 87.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.726 0.81 . . . . 0.0 110.57 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -52.91 -51.76 60.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.745 1.218 . . . . 0.0 111.441 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.89 -37.87 85.2 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.53 -35.38 80.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.758 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.2 98.16 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 123.735 0.814 . . . . 0.0 108.871 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -66.01 -43.69 86.95 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.137 -0.977 . . . . 0.0 108.552 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -56.12 -68.94 0.16 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.398 -1.439 . . . . 0.0 112.25 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -75.37 -3.62 34.65 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 117.917 -1.04 . . . . 0.0 113.567 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.16 -23.51 14.61 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.565 1.079 . . . . 0.0 113.224 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -160.2 -41.09 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.236 0 C-N-CA 127.091 2.282 . . . . 0.0 116.306 -177.831 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -59.57 -47.22 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.763 1.225 . . . . 0.0 112.895 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -63.56 -32.21 73.61 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.668 1.122 . . . . 0.0 111.601 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -46.29 81.07 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.3 -46.97 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.735 -0.603 . . . . 0.0 111.41 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.79 -39.88 82.39 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.578 1.151 . . . . 0.0 108.884 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.18 -48.84 29.66 Favored Glycine 0 CA--C 1.555 2.557 0 N-CA-C 108.23 -1.948 . . . . 0.0 108.23 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.11 -44.21 97.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.62 1.21 . . . . 0.0 110.709 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.84 -39.34 93.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.654 1.116 . . . . 0.0 108.986 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -62.31 -36.75 83.14 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 119.865 1.212 . . . . 0.0 108.975 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.88 -44.52 80.67 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.31 -39.79 94.18 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 120.688 -1.257 . . . . 0.0 108.397 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.51 -41.53 98.52 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -62.61 -35.52 79.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.673 1.189 . . . . 0.0 109.212 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.69 -54.05 50.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.104 -0.998 . . . . 0.0 109.66 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.257 4.4 pp -68.03 -32.42 72.77 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.198 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -61.47 -38.4 87.12 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.15 1.341 . . . . 0.0 110.21 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -61.75 -48.07 82.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.246 0.619 . . . . 0.0 109.431 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.93 -37.59 87.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.79 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.3 -41.32 96.91 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.5 96.02 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 119.599 1.09 . . . . 0.0 110.338 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.7 m -66.15 -45.13 82.05 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -55.3 -58.05 9.31 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.313 2.245 . . . . 0.0 113.525 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 p -78.03 -27.1 48.72 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.16 -25.03 41.74 Favored Glycine 0 CA--C 1.548 2.095 0 CA-C-O 118.796 -1.002 . . . . 0.0 115.101 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -145.84 -36.99 0.26 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.443 0 CA-C-O 117.571 -1.683 . . . . 0.0 115.421 -178.036 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.3 tp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -58.29 -47.66 82.93 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.101 1.36 . . . . 0.0 112.331 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 p -65.01 -35.06 79.98 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 119.343 0.974 . . . . 0.0 110.024 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -38.37 79.24 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.12 -50.09 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.98 -37.83 69.59 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.474 1.11 . . . . 0.0 111.259 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -49.03 64.46 Favored Glycine 0 CA--C 1.543 1.827 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.61 -40.48 97.08 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.595 -0.944 . . . . 0.0 110.421 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.38 -40.17 93.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.304 -0.873 . . . . 0.0 108.932 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 m -61.81 -37.5 84.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.624 0.769 . . . . 0.0 110.429 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -70.13 -46.45 64.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.309 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.31 -36.58 80.49 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.634 1.106 . . . . 0.0 110.989 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -44.98 90.19 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.876 1.271 . . . . 0.0 108.715 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -58.74 -36.32 74.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.232 1.013 . . . . 0.0 111.795 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -58.9 -53.18 61.25 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.139 -1.601 . . . . 0.0 109.376 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.333 3.2 pp -67.09 -30.08 70.01 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -65.48 -39.1 91.54 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 119.621 -1.924 . . . . 0.0 107.765 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -65.35 -48.11 74.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.143 1.377 . . . . 0.0 109.173 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -61.15 -36.29 79.37 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.124 -0.985 . . . . 0.0 111.225 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.56 -38.56 91.43 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 119.348 0.976 . . . . 0.0 110.66 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.68 94.78 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -62.01 -48.85 78.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.193 -0.942 . . . . 0.0 109.547 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -56.7 -43.7 80.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.348 1.459 . . . . 0.0 113.708 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -78.36 -34.31 48.44 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.798 1.239 . . . . 0.0 113.574 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.58 -24.41 28.38 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -146.4 -33.51 0.31 Allowed 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.664 1.732 . . . . 0.0 115.472 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.486 0 CA-C-O 118.602 -1.11 . . . . 0.0 115.183 -177.118 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -58.14 -48.82 79.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.366 1.066 . . . . 0.0 112.265 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -65.56 -31.92 73.23 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.681 -1.262 . . . . 0.0 111.656 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -42.31 81.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.262 0.937 . . . . 0.0 108.667 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.61 -43.22 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 116.955 -1.498 . . . . 0.0 108.455 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.15 -36.94 76.15 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.581 1.537 . . . . 0.0 110.757 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -47.39 84.46 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -63.36 -42.26 98.88 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.67 0.788 . . . . 0.0 110.002 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.46 -37.83 88.8 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.182 0.901 . . . . 0.0 108.801 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -66.06 -36.19 82.55 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.422 1.089 . . . . 0.0 110.079 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.38 -50.88 62.02 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.154 0.982 . . . . 0.0 108.429 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.71 -37.39 81.52 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.047 -1.033 . . . . 0.0 110.553 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.88 -44.94 88.03 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -59.49 -37.52 78.46 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.326 1.05 . . . . 0.0 110.413 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -63.21 -54.37 38.53 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.944 -1.097 . . . . 0.0 108.115 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.348 4.1 pp -64.14 -30.45 71.51 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.748 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.16 -40.78 96.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.815 1.189 . . . . 0.0 107.994 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -63.23 -43.68 97.39 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.15 1.38 . . . . 0.0 109.524 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -65.9 -38.77 89.6 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.541 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.9 -38.04 85.51 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 120.217 1.371 . . . . 0.0 109.321 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.71 89.06 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -63.42 -45.12 92.45 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.096 0.958 . . . . 0.0 109.234 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.53 -43.03 99.61 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.296 1.438 . . . . 0.0 112.749 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -77.93 -36.45 49.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.863 0.865 . . . . 0.0 112.709 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.34 52.04 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 117.157 1.623 . . . . 0.0 117.157 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.0 p -145.84 -42.08 0.21 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.323 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.595 -176.875 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 CA--C 1.541 0.615 0 CA-C-O 120.5 0.191 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -57.15 -48.42 78.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.362 1.465 . . . . 0.0 113.015 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.099 1.318 . . . . 0.0 111.955 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.07 80.49 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.236 -0.915 . . . . 0.0 109.356 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.48 -51.8 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.902 1.281 . . . . 0.0 109.881 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.53 -36.16 71.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.239 1.015 . . . . 0.0 110.614 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.28 67.12 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -61.34 -47.95 83.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 117.642 0.721 . . . . 0.0 110.265 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.98 -40.67 81.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.846 0.858 . . . . 0.0 110.721 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.2 m -62.35 -40.69 97.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.348 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.78 -41.44 87.68 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.382 0.992 . . . . 0.0 110.072 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.09 -39.05 91.14 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.302 -0.874 . . . . 0.0 109.351 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.27 -39.54 86.06 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -60.2 -32.25 70.91 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.789 1.235 . . . . 0.0 110.271 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.81 -57.26 11.52 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.299 1.0 OUTLIER -65.64 -30.64 71.38 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.803 0.729 . . . . 0.0 110.657 179.804 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -65.09 -38.81 91.93 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.9 m -65.93 -44.39 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.074 1.35 . . . . 0.0 108.348 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -61.17 -41.34 96.6 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 119.093 0.861 . . . . 0.0 109.012 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.56 -34.65 78.74 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.518 1.127 . . . . 0.0 109.754 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.08 90.15 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.659 1.183 . . . . 0.0 108.27 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -62.33 -48.23 80.74 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.55 -36.9 81.92 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -86.38 -28.39 23.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.752 -1.217 . . . . 0.0 113.941 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -12.56 52.13 Favored Glycine 0 CA--C 1.544 1.863 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -149.56 -42.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.895 0 C-N-CA 124.203 0.906 . . . . 0.0 115.062 -177.77 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -57.17 -51.92 67.38 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.288 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -62.3 -30.27 71.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.101 1.318 . . . . 0.0 112.441 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -46.77 72.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.491 0.587 . . . . 0.0 110.575 176.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.86 -50.22 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.676 1.19 . . . . 0.0 109.803 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.3 mt -56.96 -52.58 64.65 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.705 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.96 -50.6 50.3 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.742 1.163 . . . . 0.0 113.319 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.05 -47.47 85.74 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.851 0.825 . . . . 0.0 110.958 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.16 -38.86 92.85 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.701 0.682 . . . . 0.0 110.127 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -64.54 -34.38 78.1 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.361 -1.304 . . . . 0.0 108.029 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -70.01 -41.21 74.61 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.494 -1.241 . . . . 0.0 108.823 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.68 -39.04 90.87 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.48 -40.46 95.73 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.919 0.887 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -64.74 -43.14 94.31 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.167 1.387 . . . . 0.0 110.315 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.59 -49.45 77.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.396 1.078 . . . . 0.0 108.736 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.335 4.4 pp -64.26 -30.98 72.01 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.173 0.897 . . . . 0.0 111.104 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.85 -37.87 85.29 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -62.37 -42.65 99.58 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -65.16 -43.69 90.96 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.066 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.17 -45.53 92.79 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.858 1.208 . . . . 0.0 109.877 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.03 96.67 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.709 1.204 . . . . 0.0 109.283 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -61.91 -43.14 99.46 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.89 -48.75 79.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.263 1.825 . . . . 0.0 113.25 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -74.38 -35.94 63.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.66 -21.61 55.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.954 1.141 . . . . 0.0 115.954 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.1 p -150.31 -41.52 0.13 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.238 0 C-N-CA 125.44 1.495 . . . . 0.0 114.865 -177.464 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -60.28 -47.76 84.63 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.324 1.05 . . . . 0.0 111.56 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -64.14 -32.4 73.95 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.243 1.383 . . . . 0.0 110.259 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -42.04 83.99 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.93 -45.39 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.275 1.03 . . . . 0.0 108.659 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.07 -43.63 91.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.954 1.252 . . . . 0.0 109.388 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -44.14 98.14 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.0 -40.28 94.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.85 0.86 . . . . 0.0 110.388 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.63 -47.79 84.65 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -62.7 -33.34 74.88 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.007 0.923 . . . . 0.0 111.031 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -69.15 -52.5 27.48 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.808 1.185 . . . . 0.0 108.351 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.32 -34.88 77.47 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.428 1.013 . . . . 0.0 110.711 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.66 -46.34 90.16 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 125.412 1.485 . . . . 0.0 108.58 176.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -63.46 -42.5 98.63 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.131 0.878 . . . . 0.0 110.349 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.78 -50.09 73.36 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.103 -0.998 . . . . 0.0 110.159 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 4.4 pp -70.06 -28.49 65.48 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.181 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -62.89 -42.25 99.71 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.422 1.489 . . . . 0.0 107.448 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -63.49 -43.64 96.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -62.03 -44.37 96.86 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.512 1.051 . . . . 0.0 111.921 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.48 -47.73 83.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.869 1.268 . . . . 0.0 109.921 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.62 91.04 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.105 0.962 . . . . 0.0 111.172 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -62.59 -48.58 78.82 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.185 0.994 . . . . 0.0 110.358 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -54.67 -37.97 66.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.134 0.974 . . . . 0.0 113.574 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -87.05 -39.73 15.35 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.71 -32.44 41.21 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -140.22 -19.87 0.87 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 C-N-CA 125.239 1.399 . . . . 0.0 113.341 -179.655 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 118.916 -0.564 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -58.61 -49.28 78.07 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.752 0.821 . . . . 0.0 112.17 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -63.72 -34.83 78.75 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.204 0.911 . . . . 0.0 110.238 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -40.61 87.66 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.75 -49.02 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.24 -41.63 84.57 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 119.362 0.983 . . . . 0.0 110.0 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -51.13 55.24 Favored Glycine 0 CA--C 1.545 1.915 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.4 -50.92 71.96 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.759 0.824 . . . . 0.0 109.938 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.49 -46.64 66.68 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.534 1.061 . . . . 0.0 110.289 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 m -60.94 -48.33 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.856 0.862 . . . . 0.0 111.963 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.52 -49.9 74.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.12 -35.56 80.67 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.577 1.081 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.37 -36.07 80.62 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.062 -1.024 . . . . 0.0 108.309 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.83 -41.82 82.42 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.112 -0.993 . . . . 0.0 109.501 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.42 -47.55 85.03 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.74 -1.225 . . . . 0.0 108.253 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.314 4.0 pp -65.26 -29.34 70.12 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 117.619 -1.181 . . . . 0.0 110.717 177.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -65.07 -44.13 89.95 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 120.655 1.57 . . . . 0.0 107.662 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -62.34 -37.85 87.22 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -47.09 86.07 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 125.438 1.495 . . . . 0.0 109.048 176.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.14 -45.6 92.48 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 125.073 1.349 . . . . 0.0 110.887 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.29 89.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.78 -1.2 . . . . 0.0 112.309 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -65.86 -40.54 91.76 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.047 -1.033 . . . . 0.0 110.311 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -61.85 -55.54 28.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.433 1.893 . . . . 0.0 111.139 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.0 p -65.71 -37.8 87.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 117.5 -1.238 . . . . 0.0 113.451 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.24 -27.58 30.28 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -143.2 -36.53 0.37 Allowed 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.417 0 CA-C-N 120.269 1.395 . . . . 0.0 113.09 179.457 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.0 tp . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -59.88 -49.99 75.53 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 p -60.58 -38.5 84.82 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 119.58 1.082 . . . . 0.0 111.913 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -41.02 99.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.559 0.618 . . . . 0.0 110.94 177.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.17 -48.38 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.043 0.937 . . . . 0.0 111.377 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.48 -42.15 86.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.315 1.046 . . . . 0.0 112.642 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.84 -51.81 56.7 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.18 -52.39 65.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.934 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -52.62 -43.24 65.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.115 0.566 . . . . 0.0 112.179 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.79 -47.33 81.32 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 118.654 -0.689 . . . . 0.0 112.29 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.48 -39.41 77.7 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 117.666 -1.159 . . . . 0.0 111.776 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.54 -40.17 95.95 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.894 1.679 . . . . 0.0 108.362 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tp -68.5 -30.56 69.42 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -74.64 -38.47 62.48 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.41 -51.29 70.45 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.068 -1.645 . . . . 0.0 107.764 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.273 3.3 pp -62.01 -29.42 70.26 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.929 0.768 . . . . 0.0 112.458 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.19 -37.95 81.47 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -67.41 -45.29 76.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.732 1.213 . . . . 0.0 108.603 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -60.06 -42.6 94.86 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.12 -55.31 30.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.542 1.537 . . . . 0.0 108.447 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.33 -42.72 78.14 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.315 1.446 . . . . 0.0 111.889 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -64.31 -39.45 93.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.444 -0.785 . . . . 0.0 110.503 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -69.0 -56.06 8.93 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.733 -1.229 . . . . 0.0 112.807 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -63.3 -28.89 70.32 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.3 -12.11 49.74 Favored Glycine 0 N--CA 1.479 1.5 0 C-N-CA 125.424 1.487 . . . . 0.0 114.72 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -153.76 -52.33 0.1 Allowed 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 120.35 2.075 . . . . 0.0 115.164 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.297 0 C-N-CA 125.761 1.648 . . . . 0.0 116.623 -177.334 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 111.239 0.088 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -56.73 -44.04 81.24 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.572 1.149 . . . . 0.0 113.395 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -67.64 -31.71 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.19 1.359 . . . . 0.0 110.649 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -42.68 74.43 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.015 0.825 . . . . 0.0 109.237 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -52.33 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.037 1.335 . . . . 0.0 109.661 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.78 -44.98 86.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.218 1.007 . . . . 0.0 110.66 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.65 -49.18 81.36 Favored Glycine 0 C--N 1.343 0.955 0 C-N-CA 124.141 0.876 . . . . 0.0 111.46 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -62.02 -51.71 66.92 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 117.689 -1.148 . . . . 0.0 109.641 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.22 -37.01 74.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 120.307 1.412 . . . . 0.0 112.192 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.52 -34.63 77.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.128 1.331 . . . . 0.0 108.461 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -69.12 -43.41 74.5 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.25 -32.07 73.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.388 1.449 . . . . 0.0 108.322 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.88 -39.58 94.51 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.273 1.429 . . . . 0.0 108.756 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -70.66 -36.57 73.44 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 124.993 1.317 . . . . 0.0 109.147 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.1 -47.56 76.78 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 116.938 -1.506 . . . . 0.0 109.319 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.312 3.8 pp -63.92 -30.36 71.45 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.195 0.907 . . . . 0.0 110.28 176.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -63.88 -42.18 97.56 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.357 -1.719 . . . . 0.0 106.357 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -70.99 -38.03 72.7 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.764 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -62.31 -40.17 95.44 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.578 1.535 . . . . 0.0 112.224 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.18 -48.8 80.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.509 1.124 . . . . 0.0 110.271 176.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.95 86.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.012 0.925 . . . . 0.0 112.253 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.2 m -67.81 -38.42 83.27 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.018 -1.676 . . . . 0.0 111.541 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -64.76 -51.64 61.21 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 119.664 -1.897 . . . . 0.0 109.929 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 p -62.97 -30.57 71.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -14.51 36.54 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 119.639 1.109 . . . . 0.0 115.202 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 m -145.92 -50.17 0.23 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.26 2.03 . . . . 0.0 113.511 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.139 0 C-N-CA 125.545 1.545 . . . . 0.0 115.012 -177.251 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 99.4 mt . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 119.196 -0.43 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -58.79 -44.72 90.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.717 0.807 . . . . 0.0 111.855 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -66.42 -30.83 71.28 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.18 1.354 . . . . 0.0 110.561 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -41.0 85.25 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.46 -46.4 96.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.552 1.141 . . . . 0.0 108.968 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.4 -40.99 83.88 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.82 -1.175 . . . . 0.0 110.699 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.1 -51.4 58.66 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.7 -45.47 94.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.719 0.807 . . . . 0.0 111.109 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.53 -43.81 93.36 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.124 1.329 . . . . 0.0 111.065 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.9 -41.16 97.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.078 0.853 . . . . 0.0 110.341 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.55 -48.29 75.6 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.565 1.146 . . . . 0.0 110.116 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.44 -35.47 81.01 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.432 1.469 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.96 -41.77 90.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.658 0.783 . . . . 0.0 109.355 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -68.94 -33.98 74.62 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.314 -0.866 . . . . 0.0 110.03 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -65.02 -53.14 50.69 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.641 -1.287 . . . . 0.0 109.923 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.27 4.2 pp -59.65 -37.38 78.55 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.271 1.396 . . . . 0.0 110.778 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -63.51 -42.59 98.48 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -67.8 -45.79 73.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.682 1.593 . . . . 0.0 110.007 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -55.38 -43.9 75.6 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.291 1.036 . . . . 0.0 110.226 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.15 -43.9 98.16 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.375 0.67 . . . . 0.0 109.484 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -49.37 71.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.051 0.941 . . . . 0.0 111.99 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 m -57.85 -41.01 81.5 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.282 0.946 . . . . 0.0 111.003 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.09 -64.77 0.79 Allowed 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.092 -1.005 . . . . 0.0 111.701 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.5 p -58.54 -33.8 70.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.97 -10.83 68.63 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 116.104 1.202 . . . . 0.0 116.104 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -158.96 -48.06 0.06 Allowed 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.838 1.819 . . . . 0.0 114.817 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -177.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -55.86 -46.7 78.18 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.14 0.976 . . . . 0.0 112.4 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -68.8 -31.4 70.38 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.992 1.269 . . . . 0.0 110.398 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -41.69 75.15 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.246 1.385 . . . . 0.0 109.445 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.04 -44.81 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.0 -41.34 87.42 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.235 0.925 . . . . 0.0 110.827 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.74 -38.99 94.7 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -71.74 -44.21 64.49 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 125.055 1.342 . . . . 0.0 108.166 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.25 -42.22 81.09 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 119.951 -1.718 . . . . 0.0 109.078 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.803 1.183 . . . . 0.0 111.175 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.16 -49.3 72.64 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.49 -41.03 93.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.476 -0.765 . . . . 0.0 110.718 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.11 -28.97 69.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.454 1.501 . . . . 0.0 111.537 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -86.48 -40.16 15.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.671 0.788 . . . . 0.0 110.293 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -55.81 -51.63 66.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.095 1.758 . . . . 0.0 110.566 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.254 3.3 pp -60.03 -29.77 68.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.14 -0.975 . . . . 0.0 113.109 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.27 -35.86 71.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -66.5 -42.37 87.47 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.02 -34.88 77.03 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.753 0.706 . . . . 0.0 111.102 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.33 -38.6 91.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.495 1.118 . . . . 0.0 109.245 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.2 96.45 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.788 0.722 . . . . 0.0 109.589 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -67.01 -44.06 81.29 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.123 -0.985 . . . . 0.0 110.326 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.46 -42.69 88.01 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.347 1.859 . . . . 0.0 112.757 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 p -84.12 -31.07 25.44 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.542 1.537 . . . . 0.0 113.903 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.51 -8.78 57.18 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -157.0 -28.03 0.09 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 120.698 2.249 . . . . 0.0 115.244 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.527 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 179.839 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 118.722 -0.656 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 -49.48 77.63 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.402 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.9 p -63.01 -37.44 87.2 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.405 1.002 . . . . 0.0 111.512 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -41.29 96.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.121 0.873 . . . . 0.0 109.955 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.2 t -64.1 -47.89 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.51 1.524 . . . . 0.0 108.89 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.33 -36.85 76.43 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.136 0.88 . . . . 0.0 110.055 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.72 79.17 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.106 1.336 . . . . 0.0 110.123 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -64.14 -41.42 97.2 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.261 -1.141 . . . . 0.0 110.711 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.61 -42.99 99.65 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 119.558 1.072 . . . . 0.0 108.517 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 m -62.93 -37.69 88.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.125 0.97 . . . . 0.0 110.469 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.51 -51.19 61.79 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 117.873 -1.06 . . . . 0.0 109.283 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.25 -38.22 82.81 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.469 1.486 . . . . 0.0 110.687 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 mt -65.2 -40.98 94.91 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.265 1.026 . . . . 0.0 110.139 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.94 -32.7 65.45 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.822 -1.174 . . . . 0.0 109.9 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.9 -48.26 79.73 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 117.016 -1.468 . . . . 0.0 108.093 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.306 4.6 pp -61.62 -35.12 76.98 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.337 1.426 . . . . 0.0 111.202 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.57 -38.04 89.64 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.217 1.371 . . . . 0.0 107.875 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 m -66.54 -43.31 85.51 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.753 1.221 . . . . 0.0 110.508 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -57.96 -46.06 85.69 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.574 1.079 . . . . 0.0 110.671 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.39 -40.15 93.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 110.376 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.9 73.15 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 119.532 1.06 . . . . 0.0 108.867 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.2 m -58.56 -40.31 82.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.672 -1.267 . . . . 0.0 109.56 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -67.64 -58.01 5.42 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 119.291 -2.131 . . . . 0.0 109.753 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.1 p -66.36 -13.27 60.35 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.89 -19.53 9.04 Favored Glycine 0 N--CA 1.481 1.675 0 C-N-CA 125.752 1.644 . . . . 0.0 114.63 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -146.91 -47.39 0.18 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.77 1.285 . . . . 0.0 113.723 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.993 0 C-N-CA 125.953 1.74 . . . . 0.0 115.561 -177.46 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 m -60.25 -46.54 89.43 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.993 179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.8 p -61.4 -32.79 72.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.067 1.758 . . . . 0.0 111.171 177.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -41.22 70.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.314 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.81 -44.75 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 124.755 1.222 . . . . 0.0 108.565 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.55 -44.98 96.06 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.4 94.05 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.097 0.856 . . . . 0.0 111.088 177.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.19 -45.27 94.1 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.472 1.109 . . . . 0.0 111.466 176.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.08 -41.45 98.19 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.43 -0.793 . . . . 0.0 109.142 177.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -36.85 84.45 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.552 176.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -66.79 -47.0 73.48 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.069 1.348 . . . . 0.0 108.483 177.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.45 -37.97 87.94 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.661 1.119 . . . . 0.0 109.358 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.62 -42.58 95.4 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.07 -38.06 89.7 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.17 0.988 . . . . 0.0 111.374 177.201 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -61.4 -53.65 53.85 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.653 1.181 . . . . 0.0 109.12 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 4.0 pp -64.59 -33.54 76.17 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.073 177.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -64.81 -34.29 78.0 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.728 1.603 . . . . 0.0 109.307 176.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -68.58 -50.43 51.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.622 1.569 . . . . 0.0 107.687 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -57.34 -41.45 80.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.538 0.735 . . . . 0.0 110.757 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.42 -39.96 92.68 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 110.898 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.9 71.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 109.01 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 m -58.44 -40.37 82.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.77 0.828 . . . . 0.0 110.893 177.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.27 -64.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.133 1.773 . . . . 0.0 110.113 178.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -61.88 -23.91 66.6 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.375 1.47 . . . . 0.0 114.578 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.67 -20.39 22.08 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 119.463 1.029 . . . . 0.0 114.583 178.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 m -146.48 -49.06 0.2 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.5 1.65 . . . . 0.0 114.802 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.472 0 C-N-CA 126.034 1.778 . . . . 0.0 116.5 -175.62 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.6 mt . . . . . 0 CA--C 1.54 0.596 0 CA-C-O 118.142 -0.932 . . . . 0.0 113.311 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -63.24 -48.81 76.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.307 1.412 . . . . 0.0 110.187 176.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -64.42 -27.28 68.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.523 1.056 . . . . 0.0 110.404 177.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.73 68.2 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.661 1.119 . . . . 0.0 110.367 177.196 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.1 -45.01 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.95 -34.0 76.99 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.857 -0.592 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.48 92.07 Favored Glycine 0 N--CA 1.474 1.217 0 C-N-CA 125.006 1.289 . . . . 0.0 111.462 175.103 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.99 -42.72 90.68 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.755 1.222 . . . . 0.0 108.224 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 mt -66.04 -47.9 72.83 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -57.31 -33.39 67.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.416 1.086 . . . . 0.0 112.232 177.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.58 -52.04 62.73 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.169 0.988 . . . . 0.0 109.6 176.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.76 -38.04 89.0 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 118.765 0.711 . . . . 0.0 111.413 177.275 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -65.48 -47.24 76.75 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 0.0 110.732 177.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -63.32 -36.09 82.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.029 0.831 . . . . 0.0 110.954 177.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -61.64 -55.64 28.4 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 118.045 -0.979 . . . . 0.0 108.409 177.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.302 3.9 pp -60.77 -35.0 75.32 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.429 1.013 . . . . 0.0 112.581 177.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.52 -42.77 98.45 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.861 1.21 . . . . 0.0 108.916 177.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -65.95 -42.27 90.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.413 1.485 . . . . 0.0 110.712 177.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.13 97.79 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.916 0.886 . . . . 0.0 110.184 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.0 -42.54 98.65 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.624 0.77 . . . . 0.0 110.438 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.79 90.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.793 0.837 . . . . 0.0 110.339 177.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.1 m -62.5 -40.34 96.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.229 1.012 . . . . 0.0 111.069 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.26 -48.41 70.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 0.0 112.863 177.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 p -66.7 -19.33 65.74 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.77 -28.4 7.02 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 118.703 -1.054 . . . . 0.0 114.466 178.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -142.16 -48.48 0.36 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.733 0 C-N-CA 124.99 1.281 . . . . 0.0 116.231 -176.735 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -63.85 -42.73 97.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.764 176.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.4 p -65.54 -29.49 70.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.402 1.91 . . . . 0.0 111.681 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -40.94 89.18 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.616 1.098 . . . . 0.0 109.376 174.424 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.22 -46.6 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.633 1.173 . . . . 0.0 108.071 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -35.73 75.94 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 121.368 -0.833 . . . . 0.0 109.993 177.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.4 -48.43 82.32 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 124.892 1.234 . . . . 0.0 110.636 177.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.41 -48.24 81.31 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 123.908 0.883 . . . . 0.0 109.044 176.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.87 98.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.357 0.981 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -65.02 -32.7 74.56 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.786 1.234 . . . . 0.0 111.146 178.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -65.73 -51.05 62.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.43 1.092 . . . . 0.0 108.457 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.27 -32.38 73.08 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.23 177.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.84 -46.56 71.45 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.042 1.337 . . . . 0.0 108.3 176.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -62.51 -37.71 87.11 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.068 0.849 . . . . 0.0 109.159 177.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.46 -52.32 64.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 117.522 -1.228 . . . . 0.0 107.726 178.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.346 3.9 pp -62.1 -34.55 76.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.114 1.325 . . . . 0.0 111.889 177.545 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.84 -40.64 98.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -67.56 -53.3 29.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.524 1.53 . . . . 0.0 110.17 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -58.46 -28.61 65.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.299 1.04 . . . . 0.0 113.197 177.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.61 -36.52 83.02 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.574 1.534 . . . . 0.0 109.092 177.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.55 69.5 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -63.14 -36.67 84.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -0.938 . . . . 0.0 111.392 176.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -69.12 -53.61 19.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.215 1.806 . . . . 0.0 110.547 178.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.8 p -63.83 -28.65 70.0 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.13 -29.4 11.5 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-O 118.544 -1.142 . . . . 0.0 114.459 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 m -135.72 -51.81 0.74 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.654 1.727 . . . . 0.0 113.902 -177.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.866 0 C-N-CA 127.971 2.7 . . . . 0.0 115.222 -174.846 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 120.775 0.321 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -59.05 -47.61 84.61 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.684 1.193 . . . . 0.0 112.147 178.061 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 p -65.37 -28.74 69.49 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.419 1.463 . . . . 0.0 111.011 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.25 73.68 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.812 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.72 -46.22 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.103 0.961 . . . . 0.0 109.601 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.98 -31.87 71.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.462 0.705 . . . . 0.0 110.791 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.21 81.72 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 176.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.15 -45.52 88.12 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.41 -47.61 81.26 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.083 0.953 . . . . 0.0 110.438 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -59.43 -40.39 86.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.616 1.166 . . . . 0.0 111.832 177.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.92 -51.1 66.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.999 0.92 . . . . 0.0 109.941 177.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.61 -34.15 75.15 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.776 -0.577 . . . . 0.0 112.221 177.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.62 -44.9 89.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.371 0.668 . . . . 0.0 109.246 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -37.19 86.42 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 122.681 0.392 . . . . 0.0 110.555 177.635 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.41 -55.05 27.48 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.975 176.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.271 3.5 pp -61.56 -33.31 73.64 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.457 1.026 . . . . 0.0 112.74 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.19 -43.74 97.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.572 1.078 . . . . 0.0 109.041 176.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -65.97 -51.85 54.82 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.088 1.355 . . . . 0.0 109.578 178.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -61.6 -29.8 70.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.637 0.775 . . . . 0.0 112.205 178.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.9 -41.89 99.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.647 1.112 . . . . 0.0 108.897 176.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.96 91.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.447 0.699 . . . . 0.0 109.295 177.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -59.08 -46.07 89.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.718 . . . . 0.0 111.02 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.98 -53.36 26.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.807 0.843 . . . . 0.0 111.946 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.1 p -67.24 -17.37 64.78 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.54 -30.5 4.62 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 115.769 1.068 . . . . 0.0 115.769 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -131.62 -46.47 0.97 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -177.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.648 0 C-N-CA 124.931 1.253 . . . . 0.0 114.823 -177.195 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.2 tp . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 119.144 -0.455 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -58.8 -46.82 86.7 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.766 177.332 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.6 1.545 . . . . 0.0 110.552 177.316 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -46.32 76.68 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.278 0.945 . . . . 0.0 108.541 177.122 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.5 -38.46 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 177.1 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.4 -35.58 77.92 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.9 1.28 . . . . 0.0 108.925 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.59 -46.88 72.77 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 177.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.68 -37.98 89.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.054 1.427 . . . . 0.0 110.141 177.032 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.81 -29.34 67.67 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.971 -1.08 . . . . 0.0 109.247 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m -70.31 -33.71 71.85 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -68.85 -40.5 79.32 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 175.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.6 -35.76 81.56 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 120.288 1.404 . . . . 0.0 110.672 176.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.64 -44.56 77.65 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.775 -1.203 . . . . 0.0 108.153 175.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -63.59 -34.22 77.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 120.516 -1.365 . . . . 0.0 111.301 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.26 -55.61 23.39 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pp -60.91 -34.29 74.45 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.627 1.103 . . . . 0.0 112.226 177.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.4 -43.66 93.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.626 1.557 . . . . 0.0 108.781 177.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -62.43 -47.97 81.73 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.25 1.42 . . . . 0.0 109.562 177.431 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -58.57 -47.2 85.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.643 0.777 . . . . 0.0 110.471 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 mt -58.7 -42.43 88.57 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.515 1.126 . . . . 0.0 111.275 177.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.91 63.25 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.789 0.835 . . . . 0.0 112.061 177.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -64.83 -38.86 92.39 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.472 -0.767 . . . . 0.0 111.743 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -62.57 -57.56 10.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.167 1.387 . . . . 0.0 112.115 178.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -67.03 -24.71 66.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.03 -36.65 4.9 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.613 1.005 . . . . 0.0 115.613 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -124.41 -44.46 2.0 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.571 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.181 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 -176.942 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.7 tp . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 m -60.59 -48.5 81.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.253 1.021 . . . . 0.0 112.256 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -62.88 -31.04 72.0 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.02 1.282 . . . . 0.0 112.049 177.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -47.98 78.88 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.803 0.729 . . . . 0.0 109.291 177.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.03 -38.8 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 O-C-N 121.748 -0.595 . . . . 0.0 109.997 177.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.43 -44.12 92.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.737 0.815 . . . . 0.0 111.552 177.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.29 96.84 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 176.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.89 -38.8 89.71 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 121.467 -1.02 . . . . 0.0 109.965 175.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.56 -38.33 89.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -59.87 -36.71 77.45 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.696 1.134 . . . . 0.0 108.731 178.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.2 -44.6 68.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.175 -0.953 . . . . 0.0 109.24 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.86 -35.9 77.78 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.963 -1.086 . . . . 0.0 110.314 177.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.8 -43.27 89.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.72 1.208 . . . . 0.0 109.774 175.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.13 -38.05 87.45 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.221 1.008 . . . . 0.0 110.083 176.316 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.57 -51.27 63.68 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-O 117.254 -1.355 . . . . 0.0 107.687 178.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.294 4.0 pp -63.25 -31.86 73.11 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 120.521 1.509 . . . . 0.0 112.07 177.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.36 -37.87 88.94 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.381 1.446 . . . . 0.0 109.324 176.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -64.72 -45.81 84.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.74 1.616 . . . . 0.0 108.933 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -64.26 -40.87 96.89 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.565 -1.334 . . . . 0.0 111.187 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.74 -46.93 87.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.179 1.392 . . . . 0.0 109.251 177.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.24 94.13 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 124.22 1.008 . . . . 0.0 110.349 177.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -64.48 -47.57 78.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.255 0.622 . . . . 0.0 111.239 177.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.8 -45.9 91.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.065 1.346 . . . . 0.0 111.759 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -68.17 -54.09 20.42 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -26.15 64.36 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.899 1.52 . . . . 0.0 116.899 -177.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -131.25 -39.59 1.16 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.072 1.436 . . . . 0.0 114.702 -177.408 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 O-C-N 121.504 -0.748 . . . . 0.0 114.051 -179.167 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -59.61 -46.23 89.59 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.4 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -66.57 -32.79 74.36 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.117 1.326 . . . . 0.0 110.929 176.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -41.87 96.02 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.209 0.913 . . . . 0.0 109.123 176.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.4 -44.64 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.637 1.175 . . . . 0.0 108.894 176.469 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.45 -43.87 84.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.486 1.114 . . . . 0.0 110.118 177.459 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.94 -40.7 95.7 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.72 -40.57 76.16 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.804 176.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.12 -42.31 94.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 118.994 0.815 . . . . 0.0 109.401 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.985 176.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -68.02 -45.21 74.61 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 110.013 177.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -59.83 -39.89 86.63 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.598 1.544 . . . . 0.0 110.477 176.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.06 -43.24 92.9 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.05 -37.87 86.59 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 110.027 177.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.19 -49.86 70.38 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.03 -42.74 85.97 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.558 1.143 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.9 -40.92 97.1 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.76 1.224 . . . . 0.0 110.685 176.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -62.15 -47.56 84.01 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 125.133 1.373 . . . . 0.0 110.404 177.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.39 -45.04 89.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.43 0.692 . . . . 0.0 110.712 177.53 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.67 -42.2 98.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.639 1.176 . . . . 0.0 111.314 177.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.96 91.18 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.491 1.041 . . . . 0.0 109.762 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -61.16 -48.56 81.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.323 0.649 . . . . 0.0 109.74 177.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.18 -68.34 0.33 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.849 1.66 . . . . 0.0 111.776 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 p -63.79 -21.25 66.33 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.277 1.431 . . . . 0.0 113.094 -176.136 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.52 -28.71 15.81 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.113 0.863 . . . . 0.0 115.194 177.155 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 m -154.23 -36.57 0.1 Allowed 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.217 -1.755 . . . . 0.0 115.719 177.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.387 0 C-N-CA 124.85 1.214 . . . . 0.0 114.93 -178.933 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 118.188 -0.911 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -59.21 -50.1 75.31 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 117.359 -1.305 . . . . 0.0 109.87 177.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -66.53 -26.83 67.33 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.367 1.439 . . . . 0.0 111.346 177.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -44.71 68.08 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.808 1.185 . . . . 0.0 108.299 178.11 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.07 -44.38 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.64 -38.61 78.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.891 0.877 . . . . 0.0 109.74 177.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.29 -40.69 94.79 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 178.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.66 -37.98 88.03 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.806 1.303 . . . . 0.0 108.641 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.73 -39.78 91.48 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.272 -0.892 . . . . 0.0 109.373 175.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.6 m -59.72 -42.34 92.86 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.76 -1.213 . . . . 0.0 108.754 176.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.77 -49.12 74.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.183 1.393 . . . . 0.0 109.171 177.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.35 -40.65 91.46 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.095 1.316 . . . . 0.0 110.575 177.432 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.21 -38.88 86.02 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.423 1.489 . . . . 0.0 110.096 177.202 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -64.42 -42.25 96.15 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.056 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.68 -45.92 87.91 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.02 -45.89 78.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.827 1.251 . . . . 0.0 111.021 177.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.19 -39.5 92.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.596 1.159 . . . . 0.0 109.464 177.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -67.09 -40.73 87.0 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.716 1.207 . . . . 0.0 110.568 177.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -65.47 -44.13 88.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 109.09 177.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.8 -52.95 63.53 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.718 1.607 . . . . 0.0 109.24 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.66 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.281 1.432 . . . . 0.0 111.476 177.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.4 m -57.7 -48.44 79.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 0.0 111.122 178.475 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.94 -54.9 15.17 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.787 -1.196 . . . . 0.0 112.363 -178.056 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.3 p -68.84 -17.9 64.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.19 -22.63 7.41 Favored Glycine 0 N--CA 1.486 2.002 0 C-N-CA 125.151 1.357 . . . . 0.0 114.57 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -141.86 -49.12 0.38 Allowed 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.17 1.485 . . . . 0.0 114.865 -177.636 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 C-N-CA 126.994 2.235 . . . . 0.0 118.479 -177.078 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 118.955 -0.545 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -56.78 -48.98 76.66 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.885 0.874 . . . . 0.0 111.908 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -67.13 -28.91 68.54 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.19 1.359 . . . . 0.0 111.857 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -48.08 70.25 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 119.251 0.932 . . . . 0.0 109.593 175.511 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.89 -43.26 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 125.193 1.397 . . . . 0.0 108.848 177.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.79 -40.75 93.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.22 1.008 . . . . 0.0 110.472 177.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.85 -45.58 93.85 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 177.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -59.01 -45.77 89.85 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 176.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.91 -38.47 78.99 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.297 1.439 . . . . 0.0 111.521 177.179 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -59.56 -39.66 84.76 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.144 1.338 . . . . 0.0 109.729 177.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.4 -42.48 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.929 0.892 . . . . 0.0 109.929 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.85 -40.57 84.66 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.276 0.944 . . . . 0.0 109.23 177.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.81 -41.87 99.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.055 1.342 . . . . 0.0 108.771 176.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -41.59 97.15 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.806 0.842 . . . . 0.0 110.249 176.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -64.65 -45.69 85.7 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.38 -46.24 89.21 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.763 1.225 . . . . 0.0 111.597 177.337 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -59.41 -38.86 81.67 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.569 1.148 . . . . 0.0 110.043 177.441 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -64.78 -48.85 72.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.638 1.175 . . . . 0.0 109.269 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.49 -45.48 88.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.782 0.833 . . . . 0.0 109.816 178.13 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.06 -40.02 83.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.484 1.514 . . . . 0.0 111.448 177.606 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.04 97.65 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.68 0.673 . . . . 0.0 110.211 177.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -65.86 -45.39 82.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.954 -1.091 . . . . 0.0 110.186 177.049 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -55.95 -60.96 2.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.585 1.554 . . . . 0.0 111.491 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -65.47 -13.12 58.12 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.83 -39.25 2.37 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 119.655 1.116 . . . . 0.0 115.777 178.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 m -137.38 0.9 2.35 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.239 0 C-N-CA 124.524 1.059 . . . . 0.0 112.315 -179.957 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.7 mt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 118.977 -0.535 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m -60.26 -46.02 91.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.109 177.206 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.0 p -68.62 -27.36 65.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.727 1.149 . . . . 0.0 111.145 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.7 -43.65 75.61 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 176.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.86 -41.04 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.49 -34.81 71.34 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.559 1.144 . . . . 0.0 109.244 177.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.5 -48.32 82.8 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 176.413 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -45.39 94.82 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.413 -1.051 . . . . 0.0 109.562 176.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.97 -41.31 96.13 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.953 0.901 . . . . 0.0 110.632 177.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.0 m -62.61 -41.69 99.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.458 1.103 . . . . 0.0 108.764 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -66.44 -43.39 85.77 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.943 1.297 . . . . 0.0 109.338 178.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.35 -40.76 95.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.634 1.106 . . . . 0.0 108.845 177.693 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.12 -39.12 89.66 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 123.646 0.779 . . . . 0.0 109.469 176.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -62.87 -40.32 97.14 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.875 0.87 . . . . 0.0 109.881 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -62.09 -48.72 78.93 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.89 -51.76 66.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.253 1.421 . . . . 0.0 109.853 177.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -55.3 -39.94 70.49 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.042 1.337 . . . . 0.0 110.254 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -69.15 -41.55 77.15 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.335 0.654 . . . . 0.0 110.003 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -60.58 -26.56 67.04 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.118 -0.989 . . . . 0.0 112.182 177.299 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.22 -32.54 70.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.891 176.253 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.26 65.08 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 118.748 0.704 . . . . 0.0 109.613 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -61.4 -38.35 86.75 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.245 1.018 . . . . 0.0 111.523 177.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.83 -60.39 2.56 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.645 -0.659 . . . . 0.0 112.022 177.278 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -60.4 -30.72 69.78 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.593 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.96 -14.44 62.74 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.974 0.797 . . . . 0.0 114.936 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.6 m -157.1 -50.14 0.07 Allowed 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.527 1.663 . . . . 0.0 114.314 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.646 0 C-N-CA 125.162 1.363 . . . . 0.0 116.429 -177.519 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 119.278 -0.392 . . . . 0.0 111.706 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -56.07 -48.81 75.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.425 1.09 . . . . 0.0 112.397 178.111 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -66.95 -32.93 74.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.45 1.477 . . . . 0.0 111.475 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.53 87.05 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.071 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.0 -39.62 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 118.043 -0.979 . . . . 0.0 109.178 177.293 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.75 -32.32 71.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.901 1.228 . . . . 0.0 111.064 177.412 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.05 -50.59 51.04 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 107.759 -2.136 . . . . 0.0 107.759 176.536 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -58.43 -46.68 86.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.222 1.011 . . . . 0.0 109.696 177.15 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.99 -31.87 69.18 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.331 1.052 . . . . 0.0 111.47 177.713 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.5 m -63.16 -37.48 87.38 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.89 -38.01 58.27 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.698 -1.144 . . . . 0.0 109.038 176.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -60.58 -37.16 80.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.9 1.227 . . . . 0.0 108.619 177.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.48 -49.83 69.83 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -57.67 -43.94 85.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.491 1.516 . . . . 0.0 111.329 179.676 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -58.43 -57.13 14.3 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.19 1.396 . . . . 0.0 107.817 177.484 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -60.5 -42.82 97.15 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.093 0.957 . . . . 0.0 111.899 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -58.87 -41.82 88.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.878 1.217 . . . . 0.0 110.34 176.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.7 m -64.62 -45.95 84.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.432 0.693 . . . . 0.0 110.111 177.298 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -59.89 -43.67 94.67 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.657 -0.652 . . . . 0.0 110.747 177.224 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.27 -39.85 88.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.507 1.123 . . . . 0.0 111.215 178.39 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.89 75.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.085 0.857 . . . . 0.0 109.962 177.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -62.24 -42.27 99.17 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.318 -0.864 . . . . 0.0 111.393 177.387 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -64.69 -41.83 95.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.202 1.001 . . . . 0.0 113.043 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -81.61 -26.54 34.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.08 -21.93 19.04 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 116.711 1.444 . . . . 0.0 116.711 178.035 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.6 m -134.05 -48.22 0.79 Allowed 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.565 -1.55 . . . . 0.0 114.991 -178.036 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -177.618 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 119.832 -0.128 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -57.54 -45.62 84.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 126.174 1.79 . . . . 0.0 112.461 -178.346 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -68.85 -32.72 72.61 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.393 0.997 . . . . 0.0 111.508 177.625 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -41.55 79.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.17 -47.07 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.316 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 tp -57.44 -37.27 72.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.618 1.167 . . . . 0.0 110.178 177.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.78 77.45 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 120.763 -1.21 . . . . 0.0 110.577 176.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.31 -40.38 95.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.285 1.542 . . . . 0.0 110.362 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.31 -41.69 98.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.13 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -62.31 -35.6 79.57 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.51 1.124 . . . . 0.0 109.801 177.492 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.91 -46.6 71.13 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.79 1.177 . . . . 0.0 108.209 177.697 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.37 -37.42 87.19 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 119.933 1.242 . . . . 0.0 109.26 178.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.95 -45.69 91.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.388 1.075 . . . . 0.0 108.149 176.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -56.92 -46.53 81.93 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 109.638 178.238 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.01 -55.37 34.81 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.305 1.042 . . . . 0.0 109.497 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 tp -51.44 -50.52 59.57 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.944 1.698 . . . . 0.0 112.433 177.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -61.38 -39.06 89.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.071 0.948 . . . . 0.0 111.08 177.387 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -67.28 -38.98 85.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.032 0.933 . . . . 0.0 110.689 177.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -62.71 -46.83 86.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.202 -0.936 . . . . 0.0 108.493 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.7 -36.62 79.23 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.24 1.016 . . . . 0.0 111.381 177.237 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -48.32 76.62 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.01 -1.056 . . . . 0.0 109.535 176.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.7 m -61.68 -39.69 92.34 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.314 -1.491 . . . . 0.0 109.415 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.71 -57.39 7.23 Favored 'General case' 0 CA--C 1.562 1.425 0 O-C-N 120.513 -1.367 . . . . 0.0 111.572 177.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.2 p -63.95 -26.02 68.4 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -178.277 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.72 -9.9 45.05 Favored Glycine 0 C--N 1.347 1.145 0 C-N-CA 125.27 1.414 . . . . 0.0 115.832 178.491 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -151.67 -51.95 0.12 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 119.669 -2.077 . . . . 0.0 115.005 177.748 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.804 0 C-N-CA 126.156 1.836 . . . . 0.0 117.324 -178.326 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.09 -0.481 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -58.19 -50.18 74.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.44 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.1 p -63.86 -34.04 77.05 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 120.08 1.309 . . . . 0.0 110.317 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -45.68 77.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.413 1.006 . . . . 0.0 109.07 -179.578 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.75 -40.94 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 119.947 -1.721 . . . . 0.0 109.279 177.474 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.78 -31.44 72.41 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.615 1.098 . . . . 0.0 109.331 175.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.45 -47.42 63.01 Favored Glycine 0 CA--C 1.543 1.83 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 177.318 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.67 -46.36 89.27 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.375 1.088 . . . . 0.0 109.103 176.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.71 -41.62 91.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.654 0.661 . . . . 0.0 110.253 176.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -62.12 -38.38 88.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.451 176.898 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.41 -39.64 85.54 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.077 0.853 . . . . 0.0 108.833 176.9 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.12 -34.79 78.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.225 0.92 . . . . 0.0 109.267 177.472 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.5 -37.97 83.63 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 176.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -66.57 -42.04 87.63 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.867 1.267 . . . . 0.0 108.032 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.92 -44.85 94.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.544 1.137 . . . . 0.0 107.95 177.155 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.63 -47.52 85.26 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.42 1.088 . . . . 0.0 110.178 177.244 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.01 -37.25 84.17 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 120.04 1.291 . . . . 0.0 110.918 176.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -66.47 -40.26 89.24 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.718 1.207 . . . . 0.0 108.286 178.88 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.14 -38.19 81.9 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.794 177.188 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -41.61 95.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.137 1.335 . . . . 0.0 108.854 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.21 92.06 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.951 0.796 . . . . 0.0 109.697 177.53 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -60.36 -52.8 63.71 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.936 1.294 . . . . 0.0 109.776 177.434 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -55.28 -52.69 62.61 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.504 2.322 . . . . 0.0 111.973 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -73.84 -38.44 64.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.559 1.144 . . . . 0.0 112.912 -177.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.62 -22.44 46.82 Favored Glycine 0 N--CA 1.475 1.237 0 O-C-N 120.638 -1.289 . . . . 0.0 116.217 -176.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 m -148.93 -37.45 0.17 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -179.477 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.263 0 C-N-CA 126.003 1.763 . . . . 0.0 115.304 -177.297 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -59.31 -47.89 83.68 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.4 177.554 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -65.06 -26.38 68.22 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.028 0.831 . . . . 0.0 111.439 176.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -45.89 70.17 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.53 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.73 -41.52 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 123.703 0.801 . . . . 0.0 109.036 176.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.65 -41.18 89.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.246 1.018 . . . . 0.0 111.19 177.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.51 88.6 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 125.39 1.471 . . . . 0.0 109.465 178.329 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.59 -49.3 78.29 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.66 -43.19 84.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.18 0.992 . . . . 0.0 110.931 177.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.8 m -60.65 -39.16 87.28 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.546 1.521 . . . . 0.0 109.731 177.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -69.03 -43.95 73.7 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.332 1.053 . . . . 0.0 109.264 177.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -65.71 -35.59 81.19 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.7 -1.25 . . . . 0.0 110.229 177.041 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.98 -38.57 79.42 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.633 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -62.99 -40.91 99.17 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 107.377 178.012 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -67.34 -41.96 84.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.977 0.911 . . . . 0.0 109.484 176.319 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.11 -45.06 96.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.206 1.402 . . . . 0.0 110.037 177.398 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -64.3 -34.3 77.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 109.948 176.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -65.86 -48.32 71.96 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.89 -45.48 78.6 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.327 1.051 . . . . 0.0 110.097 176.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.35 -38.55 89.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.681 0.793 . . . . 0.0 110.9 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.54 92.32 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.862 0.865 . . . . 0.0 109.332 177.271 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -65.3 -44.24 88.54 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.225 0.92 . . . . 0.0 109.259 177.513 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.64 -49.16 78.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.253 1.821 . . . . 0.0 112.736 178.261 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -90.09 -14.25 34.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -177.183 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.06 -18.91 11.35 Favored Glycine 0 CA--C 1.546 1.978 0 C-N-CA 125.923 1.725 . . . . 0.0 115.497 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -140.61 -50.72 0.46 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 C-N-CA 125.68 1.61 . . . . 0.0 116.695 -177.069 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 tp . . . . . 0 CA--C 1.544 0.729 0 CA-C-O 118.733 -0.651 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -62.86 -41.37 99.34 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.75 0.705 . . . . 0.0 111.175 176.179 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.2 p -66.25 -27.57 68.05 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.407 1.458 . . . . 0.0 109.352 176.902 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.94 74.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.626 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.39 -38.67 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -64.44 -30.7 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.363 1.065 . . . . 0.0 108.684 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.54 -47.09 43.9 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 107.609 -2.196 . . . . 0.0 107.609 177.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.89 -45.61 91.97 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.806 1.242 . . . . 0.0 108.43 176.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.17 -44.94 96.51 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.17 -38.75 87.6 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.81 0.844 . . . . 0.0 110.974 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -67.96 -48.67 65.23 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.044 1.338 . . . . 0.0 110.66 177.349 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -62.08 -36.53 81.95 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 119.83 1.195 . . . . 0.0 109.481 177.176 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.02 -38.43 85.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.837 0.855 . . . . 0.0 109.252 176.261 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -64.58 -43.27 94.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.449 1.5 . . . . 0.0 108.198 177.729 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.32 -45.78 86.41 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.324 1.05 . . . . 0.0 108.289 177.244 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.48 -47.73 84.86 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.099 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -62.64 -31.46 72.33 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 110.315 177.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -67.34 -46.3 73.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.553 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.21 -37.08 83.97 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.85 -39.55 94.73 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.042 1.292 . . . . 0.0 108.97 178.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.76 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.58 177.059 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.2 m -61.89 -39.35 91.66 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.317 -0.864 . . . . 0.0 111.551 177.279 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -62.87 -56.23 19.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.138 1.775 . . . . 0.0 110.989 177.296 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.1 p -69.17 -33.13 72.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 -9.47 59.6 Favored Glycine 0 CA--C 1.531 1.081 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.8 m -151.12 -46.09 0.12 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.345 1.573 . . . . 0.0 113.973 178.056 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.144 0 C-N-CA 124.372 0.987 . . . . 0.0 114.924 -177.91 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -57.46 -48.38 79.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.582 1.153 . . . . 0.0 112.161 178.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -67.46 -29.09 68.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.639 1.108 . . . . 0.0 112.016 178.103 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -42.57 77.26 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.069 1.304 . . . . 0.0 108.872 176.374 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.08 -45.24 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.246 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.01 -33.76 73.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.877 1.271 . . . . 0.0 109.782 178.136 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.18 57.37 Favored Glycine 0 N--CA 1.473 1.139 0 C-N-CA 125.732 1.634 . . . . 0.0 109.366 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.0 -43.4 95.21 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.262 1.031 . . . . 0.0 108.803 176.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.06 -43.13 96.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.98 0.912 . . . . 0.0 108.74 179.222 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.1 m -60.83 -41.48 95.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.741 0.816 . . . . 0.0 109.652 177.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -64.28 -46.69 82.56 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.436 1.494 . . . . 0.0 110.141 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.5 -41.47 94.36 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.85 1.204 . . . . 0.0 109.317 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.84 -42.05 97.68 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 118.864 0.756 . . . . 0.0 109.504 176.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.53 -41.56 94.72 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.813 1.245 . . . . 0.0 110.393 177.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.56 -45.55 89.97 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.511 1.125 . . . . 0.0 108.029 176.7 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -58.32 -48.54 80.22 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.028 0.931 . . . . 0.0 108.971 177.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.44 -35.28 75.46 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 124.416 1.086 . . . . 0.0 108.802 -178.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -62.42 -47.47 83.93 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.428 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -62.57 -37.13 84.98 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 118.532 -0.747 . . . . 0.0 111.532 176.691 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.65 -33.97 77.13 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 118.698 -0.668 . . . . 0.0 109.919 177.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.09 72.74 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -38.25 86.18 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 117.849 0.295 . . . . 0.0 110.254 177.725 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -62.04 -55.77 25.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.057 -1.027 . . . . 0.0 111.422 176.348 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -66.95 -27.21 67.28 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -178.41 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.95 -28.63 9.2 Favored Glycine 0 N--CA 1.477 1.431 0 CA-C-N 119.526 1.057 . . . . 0.0 114.175 -177.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -135.41 -45.25 0.69 Allowed 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.818 1.309 . . . . 0.0 113.388 -176.242 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.432 0 C-N-CA 125.986 1.755 . . . . 0.0 114.799 -177.081 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.6 mt . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -58.39 -50.11 74.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.401 1.001 . . . . 0.0 111.407 177.409 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.4 p -65.97 -33.29 75.47 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.366 -0.833 . . . . 0.0 110.604 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -40.25 88.07 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.772 0.715 . . . . 0.0 109.108 177.607 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.63 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.713 1.205 . . . . 0.0 108.206 177.338 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 tp -65.42 -34.67 78.84 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.62 -43.7 91.47 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 175.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.67 -42.59 99.71 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.73 1.212 . . . . 0.0 107.991 177.179 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.81 -46.69 88.45 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.79 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 m -60.52 -38.35 84.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.5 1.045 . . . . 0.0 110.61 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.71 -51.47 64.84 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.166 1.348 . . . . 0.0 109.658 177.458 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.16 -34.04 77.43 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.965 -1.084 . . . . 0.0 111.738 178.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.65 -39.53 84.6 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.458 1.103 . . . . 0.0 108.946 176.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -61.37 -45.16 95.54 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.591 1.156 . . . . 0.0 108.132 177.699 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -63.03 -49.73 73.46 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.761 0.824 . . . . 0.0 109.593 177.1 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.63 -46.14 81.15 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.057 1.343 . . . . 0.0 111.539 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -66.83 -27.48 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.213 1.005 . . . . 0.0 111.574 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -72.2 -41.84 66.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.259 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 177.181 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.32 -34.97 79.36 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.298 1.039 . . . . 0.0 109.396 -179.668 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.93 92.18 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.767 1.227 . . . . 0.0 108.117 178.338 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.4 m -67.51 -41.34 84.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.443 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 47.1 t30 -60.82 -53.87 52.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.309 1.444 . . . . 0.0 112.069 177.621 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -66.43 34.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 128.758 2.823 . . . . 0.0 115.066 178.469 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.29 -75.32 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 C-N-CA 126.729 2.109 . . . . 0.0 111.209 -179.254 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 m -85.25 -15.9 41.97 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.197 1.399 . . . . 0.0 114.575 -179.032 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . . . . . . 0 C--N 1.338 0.681 0 CA-C-N 119.795 1.18 . . . . 0.0 114.463 -178.414 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 118.783 -0.627 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -62.45 -41.01 98.43 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.205 0.911 . . . . 0.0 110.838 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -68.62 -30.65 69.42 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 120.4 1.455 . . . . 0.0 109.962 176.337 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -39.97 91.84 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.715 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -65.58 -45.97 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.88 -39.53 81.69 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.208 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.15 87.87 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 117.801 -1.555 . . . . 0.0 109.631 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.73 -42.85 97.83 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.738 1.269 . . . . 0.0 110.642 177.34 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.77 -42.18 98.65 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.462 1.028 . . . . 0.0 108.834 177.235 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -65.68 -33.21 75.36 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.559 -1.21 . . . . 0.0 109.56 177.298 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -72.72 -38.32 67.5 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.968 175.577 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.03 -38.68 91.97 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 121.162 1.801 . . . . 0.0 107.4 176.142 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.67 -41.89 87.44 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.488 -1.383 . . . . 0.0 108.423 177.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -63.09 -39.07 93.64 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.357 1.463 . . . . 0.0 108.722 177.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.26 -48.05 74.58 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.149 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.2 -39.36 89.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.679 177.367 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.25 -27.59 68.07 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.756 1.222 . . . . 0.0 110.208 176.822 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.1 m -69.3 -48.06 62.67 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.63 -33.23 75.46 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.823 -0.548 . . . . 0.0 110.87 177.121 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.37 -43.43 97.65 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.985 1.314 . . . . 0.0 108.747 176.757 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.35 96.28 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.069 0.85 . . . . 0.0 109.844 177.407 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.24 -46.71 87.63 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.44 -0.788 . . . . 0.0 110.295 177.371 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -58.21 -58.19 9.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.22 1.408 . . . . 0.0 112.619 179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.5 p -61.71 -5.15 1.76 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.645 2.378 . . . . 0.0 114.701 -176.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.35 -48.02 0.12 Allowed Glycine 0 CA--C 1.533 1.18 0 CA-C-N 119.982 1.265 . . . . 0.0 114.611 177.283 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -110.6 -2.83 16.22 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -178.321 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -177.786 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 119.125 -0.464 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.78 -46.61 77.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.625 1.17 . . . . 0.0 112.066 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 p -66.99 -24.6 66.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.954 1.252 . . . . 0.0 110.942 176.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -37.73 64.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.511 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.02 -44.06 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.28 -46.25 83.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.562 1.545 . . . . 0.0 108.102 176.917 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.76 82.87 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.376 1.465 . . . . 0.0 110.024 179.111 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.5 -52.25 66.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.361 1.064 . . . . 0.0 109.936 177.551 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.52 -47.75 72.74 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.256 1.023 . . . . 0.0 111.304 178.153 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.4 m -63.02 -35.88 81.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.472 0.709 . . . . 0.0 111.463 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.84 -40.76 68.83 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.477 1.035 . . . . 0.0 109.511 177.654 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.49 -34.11 77.49 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 119.764 1.165 . . . . 0.0 108.412 177.427 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.25 -41.24 81.42 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.61 -39.48 91.41 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.163 0.985 . . . . 0.0 109.166 177.099 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -65.47 -43.68 89.5 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.464 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.62 -44.0 96.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.454 1.101 . . . . 0.0 108.989 178.649 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.29 -37.66 86.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.784 1.234 . . . . 0.0 108.939 177.108 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -67.33 -51.21 55.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.841 1.256 . . . . 0.0 108.993 178.438 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -58.12 -37.76 75.19 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.268 1.027 . . . . 0.0 110.732 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.49 -41.24 98.68 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.166 0.986 . . . . 0.0 109.658 177.733 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.02 78.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.377 1.071 . . . . 0.0 109.299 176.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.0 m -58.25 -44.67 88.43 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.712 -1.242 . . . . 0.0 110.274 177.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.77 -44.97 91.85 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.067 1.347 . . . . 0.0 112.726 178.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -74.87 -28.75 60.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -32.39 7.74 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 119.201 0.909 . . . . 0.0 115.336 -178.741 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -131.6 -33.21 1.44 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.952 0 CA-C-N 119.058 0.845 . . . . 0.0 114.176 -177.883 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 118.833 -0.603 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.74 -50.75 69.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.276 1.031 . . . . 0.0 111.906 177.789 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.0 p -67.44 -27.13 66.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.465 1.03 . . . . 0.0 111.652 177.442 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -44.97 68.03 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.634 1.106 . . . . 0.0 108.694 176.299 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.73 -38.95 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.476 1.11 . . . . 0.0 108.358 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.6 -38.04 89.62 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 121.075 -1.015 . . . . 0.0 108.416 178.044 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.65 -43.76 98.64 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 109.159 -1.577 . . . . 0.0 109.159 176.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.72 -46.02 87.32 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.055 -1.45 . . . . 0.0 108.343 176.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.9 -40.28 79.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.421 1.464 . . . . 0.0 110.118 177.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.0 m -64.65 -37.76 88.68 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.345 0.975 . . . . 0.0 109.199 177.512 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -68.27 -43.69 77.23 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.628 177.078 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.4 -36.16 79.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.041 1.292 . . . . 0.0 110.426 175.791 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -67.49 -44.17 79.16 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.099 0.96 . . . . 0.0 108.889 176.737 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -66.27 -36.66 83.56 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 120.221 1.373 . . . . 0.0 108.703 178.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.43 -46.23 87.28 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.018 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.94 -47.8 79.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.513 1.525 . . . . 0.0 109.989 177.41 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -60.51 -39.16 86.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.457 1.026 . . . . 0.0 110.824 176.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -65.82 -43.81 87.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.742 1.217 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -67.1 -40.35 86.87 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.649 -0.657 . . . . 0.0 109.257 177.488 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.77 -38.98 90.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.57 1.548 . . . . 0.0 109.596 177.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.85 87.97 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.61 0.764 . . . . 0.0 109.03 177.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 m -65.32 -44.02 89.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.453 1.101 . . . . 0.0 110.111 177.014 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -60.38 -56.24 23.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.075 2.15 . . . . 0.0 111.493 177.127 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.6 p -74.01 -30.42 62.44 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.908 1.283 . . . . 0.0 114.145 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.35 -11.15 54.89 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 116.584 1.394 . . . . 0.0 116.584 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.8 m -148.4 -47.49 0.15 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.854 -1.968 . . . . 0.0 114.168 177.578 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 C-N-CA 124.142 0.877 . . . . 0.0 114.58 -178.116 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 CA--C 1.538 0.506 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.61 -43.6 93.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.292 0.951 . . . . 0.0 111.75 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p -67.56 -33.32 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 110.093 177.395 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 -40.4 81.47 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.636 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.92 -46.26 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.338 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 tp -57.67 -43.0 84.7 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.924 1.238 . . . . 0.0 108.646 177.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.74 -44.08 98.37 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 177.29 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -62.79 -43.91 97.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.637 177.216 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.8 mt -58.42 -45.64 88.03 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.648 1.567 . . . . 0.0 109.388 177.053 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.34 -38.24 86.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.587 0.755 . . . . 0.0 110.879 176.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -68.55 -44.44 74.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.088 0.955 . . . . 0.0 109.894 177.581 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -40.2 95.23 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.504 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.59 -43.65 98.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.932 1.293 . . . . 0.0 109.02 177.204 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -58.54 -43.12 89.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.855 1.262 . . . . 0.0 109.135 177.295 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.63 -53.12 56.49 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.308 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.21 -48.84 67.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.38 1.472 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -56.96 -46.17 82.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.272 1.396 . . . . 0.0 111.248 177.288 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -65.33 -48.78 71.85 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.538 0.735 . . . . 0.0 111.227 178.588 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -58.14 -43.14 87.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.926 0.89 . . . . 0.0 109.863 177.598 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.16 -36.86 85.02 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 117.619 -1.181 . . . . 0.0 109.486 179.02 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.73 86.51 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.473 1.033 . . . . 0.0 109.898 176.316 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -61.76 -47.87 83.22 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.617 0.767 . . . . 0.0 110.078 177.183 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -56.31 -54.79 41.3 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.684 1.994 . . . . 0.0 112.338 177.499 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -76.12 -32.16 59.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.334 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.45 -22.45 29.16 Favored Glycine 0 CA--C 1.551 2.344 0 CA-C-O 116.849 -2.084 . . . . 0.0 117.166 -179.75 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -137.54 -29.46 0.87 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 179.933 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.216 0 O-C-N 121.312 -0.868 . . . . 0.0 113.991 -177.493 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.0 mt . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -61.13 -48.99 79.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.537 0.735 . . . . 0.0 111.712 177.754 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -63.16 -32.08 73.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.149 0.431 . . . . 0.0 110.611 177.114 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -44.15 70.34 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.174 -178.673 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.83 -53.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.038 1.335 . . . . 0.0 110.53 176.871 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.18 -43.54 92.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.125 0.97 . . . . 0.0 111.744 177.449 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.41 -46.33 94.08 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.99 1.281 . . . . 0.0 110.251 178.397 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.42 -42.51 98.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.92 177.518 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.27 -51.05 70.93 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.426 1.466 . . . . 0.0 108.843 176.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.3 -37.2 79.8 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.81 0.814 . . . . 0.0 109.178 -179.251 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.12 -42.25 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.051 -2.281 . . . . 0.0 110.423 179.58 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.09 -39.93 93.89 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.8 1.182 . . . . 0.0 108.237 177.577 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.38 -40.88 98.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.494 0.718 . . . . 0.0 110.205 176.395 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.77 -42.08 98.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.484 1.114 . . . . 0.0 108.682 176.604 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -63.46 -44.43 94.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.838 0.745 . . . . 0.0 109.114 177.253 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.57 -45.7 88.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 117.525 -1.226 . . . . 0.0 109.923 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -57.01 -52.33 65.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.845 1.202 . . . . 0.0 109.944 177.43 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -60.05 -46.89 88.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.287 1.035 . . . . 0.0 112.965 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.43 -42.99 98.69 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.885 -1.135 . . . . 0.0 110.928 177.391 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -63.74 -38.84 92.62 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.2 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.96 95.42 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.48 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 m -61.24 -45.98 92.3 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 0.0 110.264 176.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.72 -51.32 60.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.776 0.83 . . . . 0.0 112.953 178.406 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -69.04 -25.34 64.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.979 1.312 . . . . 0.0 113.912 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.56 -34.33 5.83 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.451 1.501 . . . . 0.0 115.457 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -123.83 2.52 8.79 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -178.422 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 C-N-CA 124.909 1.243 . . . . 0.0 114.898 -178.546 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 118.638 -0.696 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -60.62 -48.69 80.66 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.223 0.92 . . . . 0.0 110.549 177.063 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.4 p -65.66 -27.64 68.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.854 0.752 . . . . 0.0 111.612 177.208 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -42.86 70.25 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 121.302 -0.873 . . . . 0.0 108.844 177.004 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.48 -42.87 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.648 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -59.23 -46.35 88.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.855 1.262 . . . . 0.0 108.642 177.181 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.56 -42.16 95.9 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.971 1.272 . . . . 0.0 111.097 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.03 -40.43 97.7 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.656 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.83 -41.18 95.95 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.524 1.056 . . . . 0.0 109.461 176.791 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.8 -39.94 95.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.518 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -62.59 -47.62 83.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.801 1.641 . . . . 0.0 109.647 177.194 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.99 -48.68 80.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.503 1.047 . . . . 0.0 109.134 177.078 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.11 -43.78 82.64 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.604 1.093 . . . . 0.0 111.439 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.39 -43.69 92.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.616 1.166 . . . . 0.0 110.192 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -64.0 -52.94 57.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.99 0.916 . . . . 0.0 109.282 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.91 -48.2 80.58 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -176.613 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -55.98 -45.05 79.09 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 120.044 1.293 . . . . 0.0 111.159 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.5 m -67.5 -44.64 77.97 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.004 -1.06 . . . . 0.0 111.223 178.373 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.0 -43.05 91.44 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 120.135 1.334 . . . . 0.0 110.593 177.418 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -61.69 -40.56 95.42 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.402 1.481 . . . . 0.0 110.015 177.41 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.9 -45.55 85.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.369 0.668 . . . . 0.0 110.686 176.691 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -60.64 -46.27 90.93 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.21 1.004 . . . . 0.0 109.06 179.232 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.76 -52.19 65.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.376 1.47 . . . . 0.0 112.519 179.058 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.2 p -71.38 -34.51 70.49 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -179.811 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.26 -30.85 11.49 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.757 1.17 . . . . 0.0 115.326 -177.479 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -136.31 -6.48 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -175.43 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 CA-C-N 120.304 1.411 . . . . 0.0 115.541 -178.36 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -62.24 -46.7 87.68 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.76 0.709 . . . . 0.0 110.821 177.228 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.1 p -68.63 -20.31 64.47 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.905 0.775 . . . . 0.0 110.275 177.143 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -42.33 60.71 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.798 -1.189 . . . . 0.0 107.843 177.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -61.69 -44.56 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 177.349 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.26 -46.68 89.35 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.263 1.425 . . . . 0.0 110.269 177.296 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -44.41 97.96 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 124.87 1.224 . . . . 0.0 111.87 177.377 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.99 -38.58 82.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.264 1.032 . . . . 0.0 110.569 176.843 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.33 -43.34 94.93 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.152 176.659 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -64.33 -36.65 84.83 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 118.871 0.759 . . . . 0.0 111.39 177.224 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -63.11 -52.69 61.61 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.823 1.249 . . . . 0.0 109.242 177.702 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -64.09 -34.32 77.78 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.208 -0.933 . . . . 0.0 110.925 177.345 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.8 -39.48 93.67 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.842 1.201 . . . . 0.0 109.32 177.805 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -63.97 -42.45 97.26 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.473 0.579 . . . . 0.0 109.939 176.871 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.02 -48.64 80.83 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 123.59 0.756 . . . . 0.0 109.704 176.606 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.25 -48.81 70.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.605 1.562 . . . . 0.0 111.038 177.761 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.39 -43.95 97.98 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.252 0.933 . . . . 0.0 111.401 177.902 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.5 m -62.61 -45.84 91.05 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.507 -1.371 . . . . 0.0 110.677 176.577 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -66.31 -31.9 72.97 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.803 -1.185 . . . . 0.0 111.739 177.265 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.48 -42.14 96.06 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.98 1.264 . . . . 0.0 108.684 176.902 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.06 89.62 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.179 0.592 . . . . 0.0 109.549 177.146 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -64.46 -41.4 96.54 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.1 0.96 . . . . 0.0 110.614 176.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.02 -49.43 67.74 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.982 1.713 . . . . 0.0 111.717 177.376 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -72.73 -32.67 65.87 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.755 0.822 . . . . 0.0 113.138 -179.763 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.41 -13.74 56.71 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.012 1.291 . . . . 0.0 114.493 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.9 m -146.99 -51.09 0.2 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.398 1.599 . . . . 0.0 113.536 177.73 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.262 0 N-CA-C 116.372 1.309 . . . . 0.0 116.372 -177.563 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -63.09 -44.16 96.49 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.88 176.874 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -66.94 -28.57 68.4 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.146 1.339 . . . . 0.0 110.947 176.903 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -42.8 82.94 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 177.621 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.07 -43.13 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.34 -41.67 80.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.457 1.503 . . . . 0.0 108.116 177.188 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.27 96.42 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 108.052 -2.019 . . . . 0.0 108.052 178.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.25 -37.91 87.27 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.585 1.192 . . . . 0.0 109.699 177.43 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.84 -46.86 87.65 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.164 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m -60.09 -35.79 75.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.005 0.522 . . . . 0.0 110.498 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -69.75 -44.17 70.75 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.407 1.083 . . . . 0.0 111.333 177.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.05 -38.9 92.74 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.025 1.284 . . . . 0.0 109.646 175.518 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -43.1 95.59 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 176.936 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -63.15 -36.55 83.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.873 0.869 . . . . 0.0 110.702 177.16 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.89 -47.41 85.89 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.568 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.76 -45.5 94.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.707 177.034 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -58.35 -46.65 85.85 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.369 0.986 . . . . 0.0 111.808 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.7 m -58.05 -56.0 27.66 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.453 1.101 . . . . 0.0 109.893 178.34 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -66.68 -28.39 68.41 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.222 0.919 . . . . 0.0 112.701 179.55 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 tp -69.36 -34.82 75.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.928 1.24 . . . . 0.0 108.049 176.687 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.69 78.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.638 1.175 . . . . 0.0 108.09 176.579 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.2 m -62.01 -41.41 98.04 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.366 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.25 -55.42 21.62 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.721 1.608 . . . . 0.0 111.597 177.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -69.9 -28.4 65.59 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.58 1.152 . . . . 0.0 113.811 -178.103 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -27.01 13.79 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-N 119.202 0.91 . . . . 0.0 115.075 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -137.05 -47.44 0.59 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.901 1.35 . . . . 0.0 113.477 -177.85 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.278 0 C-N-CA 125.69 1.614 . . . . 0.0 117.021 -177.941 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -60.63 -43.81 97.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 117.638 -1.173 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 p -67.39 -29.29 68.76 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.897 1.68 . . . . 0.0 110.49 177.679 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -40.9 80.44 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 119.847 1.203 . . . . 0.0 108.336 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.65 -42.36 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 O-C-N 120.418 -1.426 . . . . 0.0 108.003 177.26 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -61.68 -36.97 82.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.077 1.351 . . . . 0.0 107.925 177.854 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -43.31 86.8 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 127.113 2.292 . . . . 0.0 109.528 178.185 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.31 -52.38 65.9 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.214 1.507 . . . . 0.0 108.342 177.368 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.74 -41.54 91.17 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.228 0.467 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.1 m -60.73 -42.61 97.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.457 0.703 . . . . 0.0 110.861 177.198 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 117.98 -1.009 . . . . 0.0 111.504 177.297 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.47 -39.95 92.58 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.237 1.381 . . . . 0.0 107.725 176.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.616 -1.302 . . . . 0.0 107.898 176.069 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.37 -38.39 89.38 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.151 0.98 . . . . 0.0 109.965 178.098 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.51 -46.72 87.16 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 176.577 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.06 -39.01 88.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.799 -1.096 . . . . 0.0 110.901 176.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -60.74 -47.77 84.8 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.247 1.385 . . . . 0.0 109.418 176.604 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 m -61.93 -55.06 33.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 177.222 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -59.72 -36.21 76.11 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.851 0.86 . . . . 0.0 112.829 179.11 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.35 -33.98 72.1 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.505 1.048 . . . . 0.0 108.671 177.532 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.19 -42.09 89.33 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 176.722 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -63.08 -43.12 99.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.283 1.033 . . . . 0.0 109.651 177.705 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.27 -53.7 53.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.33 1.452 . . . . 0.0 112.397 176.167 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -69.96 -36.15 75.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.647 1.179 . . . . 0.0 113.656 -177.974 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.53 -4.18 58.26 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.788 1.475 . . . . 0.0 116.788 -178.045 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.6 m -152.67 -42.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.75 1.775 . . . . 0.0 114.791 177.063 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.11 0 C-N-CA 125.004 1.288 . . . . 0.0 115.66 -177.217 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.477 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -62.71 -47.27 84.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.835 1.198 . . . . 0.0 111.314 177.229 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p -65.76 -30.39 71.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.303 -0.873 . . . . 0.0 110.771 177.184 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -46.89 73.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.532 0.733 . . . . 0.0 109.831 177.157 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.11 -48.52 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 118.301 -0.857 . . . . 0.0 108.908 177.234 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.7 tp -55.55 -41.61 73.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.84 0.746 . . . . 0.0 110.691 177.69 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.82 93.18 Favored Glycine 0 N--CA 1.477 1.374 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 177.043 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.17 -41.37 97.17 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.465 178.341 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.01 -43.93 98.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.541 1.064 . . . . 0.0 109.282 177.033 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.6 m -62.72 -34.06 76.39 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.381 0.672 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -70.98 -40.57 71.84 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.106 0.962 . . . . 0.0 110.615 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.96 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 120.62 1.555 . . . . 0.0 108.279 175.886 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.99 -42.6 97.16 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.375 1.07 . . . . 0.0 108.897 176.499 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -61.56 -42.53 98.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.831 1.252 . . . . 0.0 109.677 176.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -60.17 -50.95 71.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.357 1.063 . . . . 0.0 108.582 176.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.21 -47.53 78.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.467 1.107 . . . . 0.0 110.785 177.418 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -58.24 -50.14 74.62 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 111.503 177.4 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -61.28 -54.01 49.5 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.701 0.801 . . . . 0.0 111.033 177.242 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -63.87 -28.7 70.02 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.144 -0.931 . . . . 0.0 112.578 -178.44 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 tp -68.04 -38.44 82.51 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.62 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.02 89.84 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.688 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.6 m -61.84 -45.52 93.45 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.565 -0.709 . . . . 0.0 109.337 177.264 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.71 -51.01 71.19 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.314 -1.491 . . . . 0.0 112.364 177.452 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 p -72.28 -29.02 63.48 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -177.911 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.57 -19.89 8.06 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -178.097 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -129.52 -34.66 1.78 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -178.937 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.995 0 C-N-CA 125.346 1.451 . . . . 0.0 113.773 -179.338 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -60.16 -45.97 91.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.367 0.985 . . . . 0.0 111.257 -179.369 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -64.84 -30.34 71.34 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.664 -1.272 . . . . 0.0 110.569 176.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -38.76 73.68 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.448 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.56 -49.7 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.521 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.33 -28.67 70.16 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.605 -0.684 . . . . 0.0 109.985 179.204 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.83 -44.97 60.13 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 126.984 2.231 . . . . 0.0 108.543 176.774 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.43 -45.61 83.17 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.01 -44.61 91.73 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.016 177.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -60.7 -38.74 86.04 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.126 0.97 . . . . 0.0 111.047 175.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -67.3 -41.95 84.53 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.854 1.262 . . . . 0.0 109.306 178.013 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.32 -42.03 99.04 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.253 1.388 . . . . 0.0 108.493 176.743 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.1 -44.13 97.83 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.825 -1.172 . . . . 0.0 109.499 176.625 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.47 -37.43 85.92 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 179.016 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.01 -50.31 71.24 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.149 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.84 -47.69 79.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.118 0.967 . . . . 0.0 110.792 178.053 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.35 -38.36 74.03 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 111.439 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -54.2 17.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.704 0.801 . . . . 0.0 109.984 176.859 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -57.73 -28.85 64.25 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.911 1.684 . . . . 0.0 113.222 179.088 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.25 -44.9 93.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.7 1.2 . . . . 0.0 109.091 176.583 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.57 -43.55 69.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.625 1.17 . . . . 0.0 108.972 177.532 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -58.75 -43.12 90.18 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.404 -0.81 . . . . 0.0 110.021 177.729 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.4 -53.56 54.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.793 1.637 . . . . 0.0 111.168 177.803 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -72.13 -23.5 61.32 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -177.326 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.97 -25.17 6.26 Favored Glycine 0 N--CA 1.474 1.172 0 N-CA-C 117.617 1.807 . . . . 0.0 117.617 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 m -137.77 -23.5 1.06 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.412 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 CA-C-N 120.234 1.379 . . . . 0.0 114.09 -178.709 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -54.0 -53.44 52.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.59 1.156 . . . . 0.0 112.375 -178.338 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.7 p -65.36 -29.71 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 119.179 -0.439 . . . . 0.0 111.757 176.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.68 -39.84 95.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.866 0.757 . . . . 0.0 111.186 177.228 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.48 -45.84 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.591 1.087 . . . . 0.0 109.439 177.391 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.43 -41.08 88.75 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.443 1.097 . . . . 0.0 111.12 176.751 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.8 89.04 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.171 1.367 . . . . 0.0 110.393 178.339 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -59.86 -49.45 77.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.787 177.178 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.38 -43.58 75.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.507 0.723 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -62.52 -41.18 98.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.624 0.77 . . . . 0.0 111.641 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -67.9 -42.69 80.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.555 1.142 . . . . 0.0 110.676 177.794 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.3 -36.92 85.68 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.007 -1.058 . . . . 0.0 109.079 176.939 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.46 -41.55 93.26 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.562 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -62.89 -34.6 77.74 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.888 -1.757 . . . . 0.0 109.895 177.093 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.78 -45.64 81.7 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 119.491 -2.006 . . . . 0.0 106.967 176.883 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.56 -41.12 89.43 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.244 1.384 . . . . 0.0 109.865 177.077 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.2 -37.87 88.93 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.457 1.026 . . . . 0.0 110.606 176.294 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -65.51 -49.89 67.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.237 -1.539 . . . . 0.0 109.658 176.118 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -56.54 -42.34 78.31 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.19 0.996 . . . . 0.0 109.582 178.001 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.4 -39.64 92.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.244 1.418 . . . . 0.0 107.365 -178.025 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -47.66 75.88 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 119.384 0.993 . . . . 0.0 109.464 177.377 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -59.31 -45.95 89.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.78 0.832 . . . . 0.0 109.493 178.135 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.26 -57.15 14.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.741 1.616 . . . . 0.0 112.095 177.985 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -69.08 -25.9 64.67 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -177.872 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.33 7.5 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 115.866 1.106 . . . . 0.0 115.866 -177.435 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -134.18 -40.51 0.83 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -176.944 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 CA-C-O 118.907 -0.941 . . . . 0.0 115.426 -177.787 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -60.56 -45.39 94.09 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.809 1.244 . . . . 0.0 111.336 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -66.15 -31.17 71.86 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.166 0.893 . . . . 0.0 111.257 177.011 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -46.61 68.61 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.537 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.61 -52.14 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 117.889 -1.053 . . . . 0.0 109.888 178.393 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.93 -40.46 76.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 120.004 1.275 . . . . 0.0 110.784 177.986 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -50.08 62.99 Favored Glycine 0 CA--C 1.554 2.484 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.18 -51.51 69.27 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.03 177.495 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -52.62 -46.0 66.84 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.431 1.469 . . . . 0.0 111.152 178.565 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -63.13 -41.12 99.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.887 . . . . 0.0 111.134 177.308 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.98 -40.67 91.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.217 1.007 . . . . 0.0 110.721 177.224 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.03 -43.64 91.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.328 1.051 . . . . 0.0 108.909 177.389 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.99 -42.73 94.86 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.33 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.42 -40.04 92.96 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 124.299 1.039 . . . . 0.0 109.741 177.314 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.59 -42.66 99.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 117.817 -1.087 . . . . 0.0 108.608 177.527 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.29 -43.03 92.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.966 0.803 . . . . 0.0 109.823 177.904 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -55.39 -51.05 68.09 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -64.74 -47.19 79.13 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.153 0.981 . . . . 0.0 109.354 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -54.4 -44.08 72.03 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.348 1.059 . . . . 0.0 111.83 177.719 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.05 -50.21 74.94 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.154 0.982 . . . . 0.0 109.386 178.32 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.79 98.24 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.877 0.471 . . . . 0.0 112.057 177.969 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -62.57 -37.93 88.11 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.289 -0.882 . . . . 0.0 110.354 177.078 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -64.39 -48.4 75.57 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.952 -1.717 . . . . 0.0 112.445 178.0 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -76.42 -31.81 58.13 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.34 1.427 . . . . 0.0 113.826 177.992 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -7.97 54.69 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 118.051 1.98 . . . . 0.0 118.051 -176.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -146.4 -36.74 0.25 Allowed 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 178.381 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.725 0 CA-C-N 119.281 0.946 . . . . 0.0 113.988 -178.705 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -61.22 -45.57 94.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.877 177.509 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -65.38 -28.59 69.37 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.91 1.686 . . . . 0.0 110.248 177.457 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -43.93 70.17 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.609 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.86 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 120.042 1.292 . . . . 0.0 108.085 177.535 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.8 -43.33 94.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.734 1.614 . . . . 0.0 108.203 178.05 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -44.92 92.39 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 178.308 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -58.35 -53.62 56.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.09 -1.433 . . . . 0.0 110.033 176.864 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -53.77 -46.7 71.05 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.211 1.368 . . . . 0.0 110.946 176.807 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.6 m -62.0 -36.79 82.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.404 178.163 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -75.76 -29.27 58.77 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -69.55 -36.82 76.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 177.298 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.45 -39.68 85.36 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 176.484 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -66.02 -35.27 80.09 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.55 1.068 . . . . 0.0 108.823 176.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -65.04 -41.78 94.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 -179.189 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.92 -42.09 88.86 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 177.958 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -61.37 -47.92 83.63 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.586 -1.321 . . . . 0.0 108.645 -179.422 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.0 m -60.99 -48.83 79.99 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 124.85 1.26 . . . . 0.0 110.759 176.233 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -61.22 -42.95 99.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.565 1.546 . . . . 0.0 110.894 178.168 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.6 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.294 1.406 . . . . 0.0 109.024 177.416 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.1 87.64 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.051 0.841 . . . . 0.0 109.909 177.649 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.1 m -66.94 -47.05 72.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.195 0.998 . . . . 0.0 110.149 177.506 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.05 -55.41 35.44 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.718 2.807 . . . . 0.0 111.972 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -70.77 -36.66 73.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.8 -40.77 8.59 Favored Glycine 0 CA--C 1.554 2.473 0 N-CA-C 120.043 2.777 . . . . 0.0 120.043 179.243 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.2 m -125.38 -22.81 4.25 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -177.181 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.325 0 N-CA-C 119.159 2.424 . . . . 0.0 119.159 -177.583 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -56.55 -47.69 78.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.88 1.272 . . . . 0.0 111.736 178.328 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.8 p -65.15 -32.65 74.45 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.056 178.366 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -40.91 85.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.801 0.84 . . . . 0.0 109.915 177.193 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.71 -50.67 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.2 1.4 . . . . 0.0 108.159 177.71 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.86 -51.38 63.81 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.627 1.571 . . . . 0.0 110.803 177.268 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.96 98.69 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 117.944 -1.476 . . . . 0.0 112.682 178.216 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.29 -43.6 97.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 116.46 -1.733 . . . . 0.0 110.987 177.039 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.92 -39.57 81.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 117.236 -1.364 . . . . 0.0 107.892 178.355 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.9 m -66.79 -35.91 81.17 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 116.053 -1.927 . . . . 0.0 107.534 -177.664 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -71.97 -33.11 67.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.475 1.489 . . . . 0.0 110.405 177.575 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -68.91 -38.58 79.68 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.051 1.751 . . . . 0.0 106.616 177.697 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.7 mt -66.9 -36.35 82.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.192 1.397 . . . . 0.0 108.014 177.642 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -65.52 -40.24 92.72 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.124 -1.61 . . . . 0.0 108.048 179.066 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.91 -45.25 94.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.227 177.188 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.29 -40.39 81.81 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.239 1.016 . . . . 0.0 109.753 176.856 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -65.2 -40.27 93.96 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.601 1.091 . . . . 0.0 108.21 178.07 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -64.12 -46.21 85.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.06 -1.025 . . . . 0.0 108.804 178.103 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -57.9 -43.84 86.4 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.577 1.08 . . . . 0.0 110.87 177.658 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.82 -39.43 94.27 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.3 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.49 83.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.644 1.111 . . . . 0.0 109.599 177.066 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.3 m -66.54 -41.59 88.49 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.679 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.51 -52.86 61.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.389 1.076 . . . . 0.0 113.092 178.003 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.3 p -65.54 -43.66 89.23 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -179.34 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.55 -24.47 12.21 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.992 1.957 . . . . 0.0 117.992 -177.578 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -123.67 -14.67 7.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 118.188 2.662 . . . . 0.0 118.188 -178.971 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 120.009 2.763 . . . . 0.0 120.009 177.693 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -56.98 -49.53 75.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.666 1.187 . . . . 0.0 112.196 177.795 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -67.34 -31.26 71.41 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.744 0.702 . . . . 0.0 110.561 177.449 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -38.23 86.7 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.981 0.81 . . . . 0.0 110.136 176.632 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.11 -44.99 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.904 1.229 . . . . 0.0 109.25 176.552 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.62 -44.75 93.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.347 0.659 . . . . 0.0 110.776 177.508 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -50.41 66.4 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.726 1.155 . . . . 0.0 111.248 176.311 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.69 -47.42 84.58 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.727 1.211 . . . . 0.0 110.516 176.816 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.6 -50.97 64.5 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.883 1.22 . . . . 0.0 109.455 177.618 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.6 m -64.96 -34.33 78.16 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.717 178.619 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -71.7 -35.01 70.11 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.163 1.347 . . . . 0.0 110.36 176.906 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -68.94 -39.29 79.65 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.234 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.58 -34.7 78.86 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.719 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -62.77 -46.22 89.02 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.494 -1.379 . . . . 0.0 108.393 175.847 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.03 -47.72 84.2 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.807 0.843 . . . . 0.0 109.127 176.803 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.61 -46.74 77.29 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 117.538 -1.22 . . . . 0.0 109.997 177.369 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.43 -38.01 88.08 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.211 0.914 . . . . 0.0 110.213 177.206 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -62.92 -47.38 83.5 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.895 1.225 . . . . 0.0 109.71 178.067 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -60.95 -52.23 65.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.02 0.928 . . . . 0.0 111.219 177.444 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -60.48 -43.03 97.38 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.857 1.263 . . . . 0.0 112.502 179.348 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.66 99.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.802 0.841 . . . . 0.0 110.402 177.429 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -65.47 -45.0 85.42 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.847 0.459 . . . . 0.0 110.651 177.115 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.0 -49.51 75.76 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 112.833 178.272 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.6 p -72.35 -45.55 59.4 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.338 1.055 . . . . 0.0 112.873 179.098 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.5 -16.55 80.19 Favored Glycine 0 CA--C 1.544 1.854 0 N-CA-C 116.31 1.284 . . . . 0.0 116.31 -177.548 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 m -153.69 -37.71 0.1 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 178.199 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.819 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 -177.507 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -58.06 -47.91 81.73 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.618 -0.706 . . . . 0.0 111.686 177.265 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -66.04 -28.1 68.6 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.695 1.134 . . . . 0.0 110.754 177.026 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -41.99 79.12 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.168 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.94 -41.59 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 177.272 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.07 -41.01 97.71 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.469 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.0 -47.02 92.21 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 107.611 -2.196 . . . . 0.0 107.611 178.618 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.41 -42.96 99.57 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 116.68 -1.628 . . . . 0.0 108.581 178.965 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.48 -44.78 95.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.859 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.42 -36.19 81.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.916 -0.564 . . . . 0.0 110.857 176.873 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.1 -39.62 78.87 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.797 1.239 . . . . 0.0 109.353 176.734 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.48 -39.4 85.23 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 179.352 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.26 -43.93 95.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.375 1.07 . . . . 0.0 109.418 175.48 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.49 -39.59 93.95 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.474 1.109 . . . . 0.0 110.664 177.138 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -61.72 -43.7 98.34 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.954 -1.091 . . . . 0.0 109.126 176.821 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.11 -47.86 81.95 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.783 0.72 . . . . 0.0 109.73 177.379 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.52 -40.47 87.24 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.583 0.629 . . . . 0.0 111.331 177.227 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -64.58 -48.16 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.037 1.335 . . . . 0.0 111.123 178.093 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -59.13 -52.07 67.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.514 1.126 . . . . 0.0 109.785 177.276 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.65 -54.41 41.99 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.948 1.299 . . . . 0.0 112.277 178.815 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.47 70.49 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 178.04 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.6 m -70.42 -39.82 74.18 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.552 -0.717 . . . . 0.0 110.438 177.394 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.79 -45.57 74.41 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.07 1.348 . . . . 0.0 112.905 179.819 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.9 p -71.8 -20.54 61.84 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.359 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.82 -72.7 1.19 Allowed Glycine 0 CA--C 1.551 2.305 0 C-N-CA 124.324 0.964 . . . . 0.0 113.11 178.615 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -97.64 -19.72 18.1 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.4 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 117.811 1.884 . . . . 0.0 117.811 -177.183 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.7 mt . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -55.15 -49.93 70.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 112.028 -179.224 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -64.53 -31.17 72.27 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.874 0.761 . . . . 0.0 110.635 178.683 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -39.0 84.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.278 -0.889 . . . . 0.0 109.783 176.88 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 t -64.3 -47.16 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 119.622 1.101 . . . . 0.0 108.662 177.37 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.43 -41.6 76.68 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.521 1.128 . . . . 0.0 112.31 177.023 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.75 48.22 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.09 0.852 . . . . 0.0 111.502 176.519 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.93 -44.62 87.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.498 1.119 . . . . 0.0 111.142 177.842 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.38 -46.24 91.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.541 0.737 . . . . 0.0 109.487 177.374 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 m -58.27 -38.07 76.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.762 0.825 . . . . 0.0 110.906 177.379 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -66.98 -42.51 84.96 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.498 0.719 . . . . 0.0 109.734 177.87 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.22 -39.66 94.44 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.772 -1.205 . . . . 0.0 109.577 177.497 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.05 -43.99 94.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.082 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.74 -41.3 99.12 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.972 178.994 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.55 -46.69 88.17 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.748 1.158 . . . . 0.0 110.294 177.132 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.98 -43.33 86.45 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 110.94 176.288 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.18 -41.21 99.17 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.404 0.682 . . . . 0.0 110.969 177.354 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -64.13 -45.15 89.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.936 0.789 . . . . 0.0 110.736 176.752 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -60.32 -51.42 69.59 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 123.18 0.592 . . . . 0.0 110.382 177.26 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.9 mt -59.13 -44.63 92.04 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.017 1.327 . . . . 0.0 112.84 178.656 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.99 87.72 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 118.858 0.754 . . . . 0.0 110.92 176.758 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 m -72.67 -33.13 66.34 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.095 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.47 -44.04 92.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.09 1.356 . . . . 0.0 111.621 176.915 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -76.61 -34.79 58.35 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.715 0.688 . . . . 0.0 111.582 177.727 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.58 -25.21 59.13 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 115.455 0.942 . . . . 0.0 115.455 -179.174 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -152.11 -37.73 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.92 1.86 . . . . 0.0 114.379 -178.726 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.448 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 -176.865 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -57.64 -48.21 80.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.661 0.784 . . . . 0.0 110.974 178.505 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -65.1 -29.54 70.41 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.723 177.72 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.64 78.59 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 119.992 1.269 . . . . 0.0 109.106 177.339 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.6 -42.11 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.747 -1.221 . . . . 0.0 108.479 176.781 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.24 -40.64 94.77 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.985 -1.072 . . . . 0.0 109.268 176.81 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.33 98.15 Favored Glycine 0 CA--C 1.541 1.658 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 177.115 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -47.42 84.79 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.951 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.8 -44.5 90.8 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.226 1.01 . . . . 0.0 110.559 176.939 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -56.9 -44.85 82.78 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.145 0.978 . . . . 0.0 111.723 175.515 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.05 -49.46 74.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.291 1.436 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -61.47 -42.41 98.74 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.227 0.921 . . . . 0.0 110.553 177.062 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.61 -38.55 88.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -65.71 -41.48 92.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -178.561 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.65 -51.85 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 119.127 0.876 . . . . 0.0 109.009 176.377 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.74 -47.6 79.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.739 0.816 . . . . 0.0 110.677 177.209 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -60.72 -37.41 81.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.315 1.046 . . . . 0.0 110.944 177.345 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -67.16 -47.73 70.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.487 1.515 . . . . 0.0 109.343 177.284 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -60.47 -44.9 95.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.413 -0.804 . . . . 0.0 109.822 177.436 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -58.92 -52.67 64.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.966 1.306 . . . . 0.0 110.472 177.161 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.36 78.44 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.98 0.895 . . . . 0.0 112.68 177.434 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -67.92 -38.65 83.16 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 176.672 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.18 -42.0 80.62 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.283 -1.511 . . . . 0.0 111.501 178.056 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -72.16 -36.13 69.21 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.958 1.254 . . . . 0.0 113.319 178.057 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.81 -16.45 51.63 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.199 1.64 . . . . 0.0 117.199 -179.134 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -139.48 -48.87 0.48 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.079 1.352 . . . . 0.0 114.644 178.525 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 N-CA-C 117.774 1.87 . . . . 0.0 117.774 -177.987 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 118.742 -0.647 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -62.08 -45.52 93.16 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.167 0.894 . . . . 0.0 111.213 177.431 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.5 p -63.61 -28.91 70.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.678 1.581 . . . . 0.0 110.683 177.107 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.62 71.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.144 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.75 -45.15 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.627 1.171 . . . . 0.0 108.527 177.04 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -41.93 97.46 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.831 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.8 97.68 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 124.764 1.173 . . . . 0.0 110.421 178.308 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.16 -45.61 87.67 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 176.577 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.78 -38.95 79.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.709 176.851 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 m -60.17 -40.2 89.08 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 120.284 1.402 . . . . 0.0 110.149 176.934 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -69.32 -39.62 78.11 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.006 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.93 -37.93 86.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.584 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.73 -42.14 98.57 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 176.82 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -63.19 -38.66 92.04 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.79 -0.569 . . . . 0.0 109.712 177.092 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.86 -45.02 87.81 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.254 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.75 -45.3 86.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.316 1.446 . . . . 0.0 109.629 177.415 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.7 -35.69 80.53 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.028 0.831 . . . . 0.0 110.467 176.691 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -66.49 -46.31 76.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.745 1.218 . . . . 0.0 110.051 176.975 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -62.14 -44.19 97.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.867 0.867 . . . . 0.0 109.411 177.314 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.34 -48.39 81.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.488 1.515 . . . . 0.0 111.569 177.098 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.78 93.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.861 0.864 . . . . 0.0 111.117 176.867 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -60.01 -47.32 86.34 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.122 0.969 . . . . 0.0 110.297 177.289 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.34 -49.22 67.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.491 1.516 . . . . 0.0 113.218 -178.344 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.77 -34.86 76.28 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.933 1.293 . . . . 0.0 113.457 179.675 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.39 -21.03 28.09 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 179.294 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -146.31 -26.39 0.43 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -177.556 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.267 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -178.568 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 119.241 -0.409 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -57.87 -50.09 74.5 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.853 -178.413 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.4 p -63.12 -31.98 73.25 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 119.513 1.051 . . . . 0.0 110.994 178.265 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -38.87 74.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.048 -1.658 . . . . 0.0 110.292 178.076 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.17 -45.94 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 115.835 -2.031 . . . . 0.0 108.514 177.584 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.53 -32.14 73.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 126.571 2.42 . . . . 0.0 109.941 177.821 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.05 -44.61 76.86 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 178.772 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.85 -43.11 99.5 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.298 1.039 . . . . 0.0 109.105 177.744 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -44.98 89.12 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.96 -34.45 76.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.721 -0.612 . . . . 0.0 112.159 177.171 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.5 -49.45 71.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.611 1.164 . . . . 0.0 110.438 177.565 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -64.79 -40.37 95.12 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 117.597 -1.192 . . . . 0.0 109.514 177.844 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.06 -39.66 90.69 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.989 0.813 . . . . 0.0 110.901 177.251 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.88 -38.47 91.01 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.895 0.77 . . . . 0.0 109.804 178.882 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 118.254 -0.879 . . . . 0.0 108.781 176.949 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.61 -35.22 77.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 115.712 -2.089 . . . . 0.0 110.555 178.069 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -63.9 -43.85 94.75 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 119.584 1.083 . . . . 0.0 109.287 178.224 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.3 m -69.29 -40.76 77.52 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.127 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.5 -55.43 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.196 1.398 . . . . 0.0 110.112 177.127 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.71 -47.11 83.33 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.925 1.69 . . . . 0.0 112.596 177.659 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.96 89.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.593 0.757 . . . . 0.0 111.825 177.345 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 m -66.65 -47.51 72.3 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.544 0.688 . . . . 0.0 111.018 177.54 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.04 -53.54 57.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.968 1.707 . . . . 0.0 114.53 -179.477 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -65.92 -14.84 62.27 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -177.931 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.65 -65.33 0.45 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.944 0.783 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -87.71 -30.89 20.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 119.741 -2.035 . . . . 0.0 112.953 -177.47 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.559 0 N-CA-C 117.501 1.76 . . . . 0.0 117.501 -176.985 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 119.412 -0.328 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -60.6 -45.84 92.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.012 -178.888 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p -64.28 -30.78 71.82 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.315 1.416 . . . . 0.0 111.54 176.913 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -44.71 81.38 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.436 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.1 -44.45 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 -176.947 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.06 -42.95 95.61 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.866 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.45 85.71 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 118.307 -1.274 . . . . 0.0 111.48 177.67 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -67.7 -39.08 84.4 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.202 1.501 . . . . 0.0 109.355 177.313 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.32 -47.92 83.71 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.815 -1.179 . . . . 0.0 107.815 178.066 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.7 m -59.07 -40.53 85.49 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.226 1.01 . . . . 0.0 109.821 176.809 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.21 -47.26 83.27 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 125.605 1.562 . . . . 0.0 111.198 178.916 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.94 -36.33 84.03 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.064 0.847 . . . . 0.0 109.358 177.689 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.15 -32.69 74.29 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.882 -1.761 . . . . 0.0 110.292 175.799 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.7 -43.76 71.77 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 119.348 -2.095 . . . . 0.0 108.63 175.985 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -58.44 -47.75 82.98 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 105.677 -1.971 . . . . 0.0 105.677 179.025 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.08 -47.51 80.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.342 179.076 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -55.6 -44.13 76.71 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.991 0.814 . . . . 0.0 109.737 177.04 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -66.72 -39.5 88.02 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 119.928 1.24 . . . . 0.0 107.985 -177.311 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -64.6 -43.68 93.0 Favored 'General case' 0 CA--C 1.566 1.567 0 O-C-N 120.691 -1.256 . . . . 0.0 109.383 177.608 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.78 -38.42 90.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.689 1.196 . . . . 0.0 110.738 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.72 87.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.914 1.286 . . . . 0.0 111.677 177.275 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.875 -1.141 . . . . 0.0 109.885 177.11 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.94 -54.24 20.19 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.097 0.959 . . . . 0.0 112.469 177.207 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -71.14 -5.78 34.28 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.329 1.852 . . . . 0.0 114.299 -177.819 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.81 -41.98 0.89 Allowed Glycine 0 C--N 1.347 1.142 0 C-N-CA 124.247 0.927 . . . . 0.0 114.358 176.07 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 m -120.92 -44.66 2.41 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.871 -1.37 . . . . 0.0 113.738 -178.233 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.133 0 N-CA-C 119.842 2.697 . . . . 0.0 119.842 179.493 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -58.99 -48.17 82.54 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.406 1.083 . . . . 0.0 113.157 179.707 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.2 p -63.79 -34.97 79.09 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.814 1.188 . . . . 0.0 110.798 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -43.91 82.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.867 0.758 . . . . 0.0 109.939 177.077 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.92 -44.84 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.064 1.345 . . . . 0.0 108.868 177.587 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 mt -57.16 -43.54 82.64 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 0.0 108.873 177.697 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.95 95.12 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 177.262 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.5 -42.12 96.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.049 0.94 . . . . 0.0 110.379 177.732 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.473 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -59.17 -39.34 82.2 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.747 1.158 . . . . 0.0 109.915 176.493 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -66.04 -48.82 69.82 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.511 1.525 . . . . 0.0 108.806 179.894 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.53 -47.26 84.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.602 1.092 . . . . 0.0 108.712 177.84 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.85 -41.72 87.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.623 1.169 . . . . 0.0 108.556 177.581 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.41 -37.29 84.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.229 0.922 . . . . 0.0 109.532 -179.259 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.84 -46.0 92.3 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.936 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.36 -45.45 88.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.023 0.929 . . . . 0.0 109.493 176.621 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -56.02 -45.62 79.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.56 1.073 . . . . 0.0 109.365 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -65.55 -44.01 88.11 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -176.807 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.81 -47.92 82.94 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.785 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.49 -51.86 67.74 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.284 1.434 . . . . 0.0 110.634 177.1 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.82 79.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.858 1.263 . . . . 0.0 112.798 177.482 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.4 m -67.67 -40.09 84.49 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 177.486 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -68.93 -46.68 67.64 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.17 -0.956 . . . . 0.0 112.508 178.967 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 p -69.72 -40.15 76.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.077 0.853 . . . . 0.0 112.304 177.927 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.89 -33.66 23.55 Favored Glycine 0 N--CA 1.48 1.58 0 N-CA-C 118.013 1.965 . . . . 0.0 118.013 -179.157 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -129.39 -20.41 3.32 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -177.832 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.557 0 O-C-N 120.133 -1.604 . . . . 0.0 116.408 178.902 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 mt . . . . . 0 N--CA 1.468 0.467 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -57.66 -49.69 75.65 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.895 178.279 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p -63.79 -27.69 69.35 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.928 1.24 . . . . 0.0 111.161 177.182 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -42.11 80.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.977 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.32 -48.62 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.165 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.34 -44.2 75.71 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.606 0.763 . . . . 0.0 110.85 177.622 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.41 -45.76 92.6 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 123.919 0.771 . . . . 0.0 111.402 176.851 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -61.34 -45.63 93.6 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 123.479 0.712 . . . . 0.0 109.756 176.292 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.0 mt -56.68 -38.42 72.22 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.002 0.819 . . . . 0.0 109.683 178.753 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -65.62 -37.75 87.46 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.281 -0.887 . . . . 0.0 109.399 178.645 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.51 -44.83 77.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.999 -1.063 . . . . 0.0 110.424 176.244 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -60.07 -38.24 82.26 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.47 1.032 . . . . 0.0 110.341 176.371 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.4 -38.49 84.73 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.712 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.07 -38.68 91.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.084 0.856 . . . . 0.0 109.177 177.883 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.58 -42.83 97.48 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.846 -1.074 . . . . 0.0 108.104 176.563 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.62 -42.03 91.75 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 124.376 1.048 . . . . 0.0 109.21 177.366 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -62.21 -42.27 99.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.012 0.824 . . . . 0.0 109.38 178.428 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -66.09 -43.94 85.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.959 0.904 . . . . 0.0 110.267 177.595 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.7 -46.61 89.71 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.415 1.086 . . . . 0.0 109.824 177.395 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.54 -55.72 31.22 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.561 1.544 . . . . 0.0 110.323 177.841 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.01 73.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.221 1.009 . . . . 0.0 112.045 177.327 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 m -63.97 -46.43 84.65 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.53 -0.732 . . . . 0.0 109.997 177.456 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -62.85 -45.1 94.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.518 1.927 . . . . 0.0 113.814 -179.326 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 p -76.85 -34.66 57.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.861 1.265 . . . . 0.0 112.551 -178.568 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.32 -20.99 18.58 Favored Glycine 0 CA--C 1.547 2.063 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -176.011 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -136.38 -43.69 0.62 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -179.075 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.145 0 C-N-CA 125.104 1.335 . . . . 0.0 113.837 -177.235 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -60.99 -46.73 89.58 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 117.134 -1.412 . . . . 0.0 111.464 177.284 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.0 -22.53 66.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.011 1.278 . . . . 0.0 110.742 177.045 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -37.94 64.5 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.762 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.47 -48.34 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.205 -1.559 . . . . 0.0 107.087 177.105 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.14 -48.06 79.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.246 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.78 -42.1 96.3 Favored Glycine 0 C--O 1.214 -1.148 0 O-C-N 121.313 -0.867 . . . . 0.0 112.166 179.421 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -58.14 -52.12 66.87 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 119.49 1.645 . . . . 0.0 108.242 173.483 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.46 -39.18 79.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -178.698 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -63.65 -38.6 91.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 119.89 -1.756 . . . . 0.0 108.809 -179.628 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.36 -48.54 67.17 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.581 177.376 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.02 -40.34 76.48 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.299 0.954 . . . . 0.0 109.845 177.773 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.1 mt -67.5 -41.48 84.43 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -178.777 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -65.86 -35.77 81.58 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.953 1.251 . . . . 0.0 111.194 177.031 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.59 -49.66 76.65 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 176.834 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.24 -38.48 80.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.676 177.351 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.71 -35.18 80.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.15 1.341 . . . . 0.0 110.078 178.061 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -72.35 -39.17 68.3 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.131 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -66.41 -37.13 84.53 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.872 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.48 -37.77 88.69 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 116.609 -1.662 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.22 78.79 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.503 1.047 . . . . 0.0 110.179 176.988 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 m -69.3 -46.02 68.16 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 177.312 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.9 -43.98 97.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.249 2.22 . . . . 0.0 113.465 179.987 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.6 p -83.91 -42.41 16.36 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.5 -24.57 56.19 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.43 -175.888 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -129.68 -44.45 1.21 Allowed 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.66 1.73 . . . . 0.0 111.81 179.703 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.864 0 CA-C-N 118.839 0.745 . . . . 0.0 113.667 -177.7 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 tp . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -58.4 -48.04 81.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.943 0.897 . . . . 0.0 112.044 179.32 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.9 p -65.79 -31.34 72.26 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 119.099 0.863 . . . . 0.0 111.525 177.457 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -41.77 81.67 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.533 1.061 . . . . 0.0 109.112 176.735 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.6 -41.28 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.385 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.7 -37.62 79.36 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.252 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.27 -44.11 98.51 Favored Glycine 0 CA--C 1.541 1.689 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 177.819 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -60.73 -47.19 87.42 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.512 1.156 . . . . 0.0 109.483 176.696 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.95 -48.02 82.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 110.679 177.593 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -59.12 -40.57 85.82 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.665 0.786 . . . . 0.0 110.876 176.988 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.68 -49.17 76.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.18 1.392 . . . . 0.0 110.243 177.368 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.24 -42.95 96.36 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.007 1.276 . . . . 0.0 110.071 178.787 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.62 -45.23 91.27 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.068 0.547 . . . . 0.0 110.336 177.43 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -60.09 -42.06 93.82 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.379 1.472 . . . . 0.0 111.925 177.319 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -57.33 -44.84 84.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.197 0.999 . . . . 0.0 109.466 177.401 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.83 -38.5 85.68 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.928 176.645 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.92 -42.96 99.13 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.347 1.43 . . . . 0.0 111.151 177.315 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -61.09 -46.34 91.01 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.788 0.722 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.91 -42.45 97.4 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.627 -0.671 . . . . 0.0 111.716 177.208 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.32 -52.22 66.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.449 1.5 . . . . 0.0 111.693 177.582 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.79 67.09 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.181 0.9 . . . . 0.0 111.248 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 m -61.09 -49.7 76.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.019 0.928 . . . . 0.0 110.484 177.205 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -60.92 -47.8 84.75 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 113.272 -178.888 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.1 p -75.85 -38.78 57.64 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -177.49 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.26 -21.7 26.69 Favored Glycine 0 N--CA 1.473 1.102 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 -177.397 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -129.44 -42.63 1.31 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.708 1.254 . . . . 0.0 113.39 -178.075 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.681 0 N-CA-C 116.051 1.18 . . . . 0.0 116.051 -178.086 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 118.989 -0.529 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -61.27 -49.13 78.31 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.986 0.812 . . . . 0.0 110.53 179.774 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -65.32 -25.89 67.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.522 1.055 . . . . 0.0 111.513 177.573 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -40.24 66.43 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.087 0.858 . . . . 0.0 109.549 176.231 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.31 -43.69 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.74 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.7 mt -57.88 -42.83 85.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.452 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -44.13 94.94 Favored Glycine 0 CA--C 1.542 1.734 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 176.84 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -61.68 -48.89 78.77 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.285 1.042 . . . . 0.0 108.21 178.163 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -57.03 -49.01 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.223 1.009 . . . . 0.0 111.228 177.59 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -59.35 -42.99 92.84 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.381 176.921 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.92 -48.98 74.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.376 1.47 . . . . 0.0 110.848 178.44 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.23 -40.48 94.18 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.524 1.056 . . . . 0.0 109.958 178.498 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.75 -38.04 85.82 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.563 -0.711 . . . . 0.0 109.581 176.695 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.55 -41.11 96.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.712 0.805 . . . . 0.0 109.047 177.658 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.83 -45.1 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.562 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.91 -38.28 81.87 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.083 177.006 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.46 -40.59 97.52 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.112 1.324 . . . . 0.0 108.959 177.329 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -64.48 -47.33 79.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.41 0.684 . . . . 0.0 109.64 177.201 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.32 -44.89 92.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.646 0.778 . . . . 0.0 110.929 177.221 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.94 -42.76 99.91 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 125.231 1.412 . . . . 0.0 111.918 178.398 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.0 80.51 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.212 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.2 m -62.84 -40.49 97.59 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.783 0.833 . . . . 0.0 110.789 176.968 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -61.83 -55.06 33.84 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.714 1.606 . . . . 0.0 112.586 178.022 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.3 p -75.96 -27.38 57.5 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.732 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.16 -19.29 33.8 Favored Glycine 0 CA--C 1.54 1.601 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -178.895 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -143.65 -52.73 0.35 Allowed 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.639 1.22 . . . . 0.0 113.945 -176.478 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 C-N-CA 126.196 1.855 . . . . 0.0 117.015 -177.879 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.2 tp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -59.82 -41.88 92.25 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.823 0.849 . . . . 0.0 113.004 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 p -68.01 -29.39 68.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.514 1.506 . . . . 0.0 110.268 177.174 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -41.7 79.85 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.247 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.892 178.868 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.12 -37.83 78.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.329 0.651 . . . . 0.0 110.524 176.644 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.33 -49.94 69.57 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 175.884 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -59.13 -49.76 76.65 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.686 0.743 . . . . 0.0 109.676 177.094 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -54.27 -50.59 66.9 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.538 1.135 . . . . 0.0 111.854 178.621 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -60.41 -39.01 85.86 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.872 1.215 . . . . 0.0 112.295 176.815 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.2 -49.25 72.77 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 177.097 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.16 -37.93 89.24 Favored 'General case' 0 C--N 1.342 0.272 0 O-C-N 121.405 -0.81 . . . . 0.0 111.967 177.853 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.53 -42.5 99.56 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.409 -1.432 . . . . 0.0 108.9 176.957 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -61.43 -37.3 83.0 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 125.032 1.333 . . . . 0.0 110.832 176.385 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.5 -48.32 64.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.16 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.6 mt -56.15 -44.16 79.0 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.999 1.272 . . . . 0.0 110.7 176.948 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.22 -40.88 91.71 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.85 0.86 . . . . 0.0 110.853 177.051 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.0 m -66.09 -42.09 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.972 0.509 . . . . 0.0 110.286 176.951 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -62.35 -44.18 97.09 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.884 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.09 -34.91 78.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.558 1.143 . . . . 0.0 111.887 177.033 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.99 92.71 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.819 1.191 . . . . 0.0 108.892 177.682 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.8 m -65.69 -37.52 86.69 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.482 -1.386 . . . . 0.0 108.822 179.774 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -70.65 -51.17 29.66 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.833 1.253 . . . . 0.0 111.98 178.798 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.6 p -70.14 -30.63 67.84 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.018 1.327 . . . . 0.0 113.552 -178.552 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.45 -26.66 10.67 Favored Glycine 0 CA--C 1.545 1.951 0 C-N-CA 123.66 0.648 . . . . 0.0 114.622 -178.174 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -127.81 -52.69 1.34 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -178.222 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.212 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 179.415 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.8 tp . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -58.13 -46.51 85.48 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.477 1.111 . . . . 0.0 111.753 177.356 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.0 p -67.16 -29.62 69.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.265 0.939 . . . . 0.0 110.959 177.145 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -42.56 77.31 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 119.385 0.993 . . . . 0.0 108.903 177.509 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.62 -51.88 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.524 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -54.29 -45.08 72.43 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.47 1.108 . . . . 0.0 110.207 177.079 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.52 -45.92 93.87 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.611 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.13 -47.22 80.8 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.098 0.949 . . . . 0.0 109.482 177.289 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.6 mt -56.61 -50.58 71.59 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.498 1.119 . . . . 0.0 110.362 178.47 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -56.27 -38.91 71.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.735 1.152 . . . . 0.0 110.75 178.501 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -47.71 70.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.73 0.695 . . . . 0.0 111.224 177.388 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.26 -38.84 91.59 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 119.149 0.886 . . . . 0.0 110.645 178.089 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.99 -38.55 91.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.376 1.071 . . . . 0.0 108.799 177.312 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -65.02 -42.29 94.51 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.269 -0.894 . . . . 0.0 108.612 176.787 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.28 -43.91 92.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.787 1.176 . . . . 0.0 109.111 177.074 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.47 -38.61 87.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.545 0.738 . . . . 0.0 110.03 177.18 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.35 -42.91 98.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.964 1.256 . . . . 0.0 107.635 178.261 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.5 m -65.84 -40.1 91.45 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.668 1.187 . . . . 0.0 110.655 177.16 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -64.15 -43.66 94.51 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.205 -0.934 . . . . 0.0 109.468 177.762 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.66 -44.38 96.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.844 0.858 . . . . 0.0 109.636 177.126 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.84 83.07 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.052 0.842 . . . . 0.0 110.174 176.858 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 m -58.0 -39.29 77.9 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.682 1.593 . . . . 0.0 109.256 177.677 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.06 -51.89 58.9 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.469 -0.77 . . . . 0.0 109.846 179.12 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.8 p -62.58 -24.25 67.45 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 178.307 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -29.13 8.74 Favored Glycine 0 N--CA 1.482 1.759 0 N-CA-C 117.098 1.599 . . . . 0.0 117.098 178.263 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -139.46 -50.3 0.5 Allowed 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.354 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 2.36 0 N-CA-C 117.462 1.745 . . . . 0.0 117.462 -177.615 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -60.42 -45.95 91.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.245 1.018 . . . . 0.0 111.467 177.299 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -67.19 -29.39 69.06 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.39 0.996 . . . . 0.0 111.368 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -42.14 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.417 1.008 . . . . 0.0 108.716 175.586 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.16 -45.45 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.001 1.32 . . . . 0.0 108.489 178.273 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.84 -32.0 70.26 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.018 0.927 . . . . 0.0 110.189 177.289 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.02 -50.84 37.72 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.604 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.87 -48.38 75.66 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.166 0.986 . . . . 0.0 109.308 177.221 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.54 -48.31 82.14 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.925 1.29 . . . . 0.0 111.667 177.138 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -58.29 -37.5 75.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.574 0.749 . . . . 0.0 110.688 177.865 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -48.2 77.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.856 178.129 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.24 -44.04 97.45 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.683 0.674 . . . . 0.0 109.819 177.209 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.74 -36.81 82.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.592 1.157 . . . . 0.0 111.364 177.464 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.87 -49.91 64.16 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.409 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -54.75 -46.2 74.28 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.852 0.751 . . . . 0.0 109.434 177.55 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.44 -47.03 87.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.834 1.253 . . . . 0.0 110.859 177.836 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -60.58 -38.04 83.31 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.543 1.065 . . . . 0.0 111.154 176.749 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -66.19 -44.22 84.6 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.668 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.31 -43.5 96.3 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.372 -0.83 . . . . 0.0 109.642 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.74 -43.47 97.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.133 1.373 . . . . 0.0 110.967 178.358 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.94 83.97 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.617 0.767 . . . . 0.0 110.41 175.793 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.9 m -62.71 -39.55 94.37 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.435 0.694 . . . . 0.0 110.66 177.25 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.443 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 10.4 t-20 -69.21 -50.31 48.53 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.121 -1.612 . . . . 0.0 112.966 179.051 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -62.23 -18.23 60.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.569 1.147 . . . . 0.0 113.17 -178.349 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.43 -53.12 0.61 Allowed Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.812 1.196 . . . . 0.0 113.98 178.037 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 m -107.34 -32.24 7.85 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -176.934 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . . . . . . 0 C--N 1.346 1.085 0 CA-C-O 117.761 -1.577 . . . . 0.0 115.357 -176.567 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp . . . . . 0 N--CA 1.469 0.488 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -60.74 -50.48 73.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.3 1.04 . . . . 0.0 111.21 179.097 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.0 p -64.38 -29.56 70.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.549 1.068 . . . . 0.0 112.085 177.306 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -46.09 68.19 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.675 1.125 . . . . 0.0 109.312 177.428 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.47 -49.51 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 O-C-N 121.245 -0.91 . . . . 0.0 109.832 177.59 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.14 -40.97 82.7 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.606 0.762 . . . . 0.0 110.469 176.91 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -43.32 95.33 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.691 1.138 . . . . 0.0 111.301 176.186 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -64.44 -51.31 63.74 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 176.989 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.43 -38.79 74.95 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.573 1.149 . . . . 0.0 112.479 179.407 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -63.16 -38.67 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.053 1.297 . . . . 0.0 108.513 177.755 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.58 -39.83 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.776 1.231 . . . . 0.0 109.437 176.895 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.35 -41.62 98.87 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.588 1.54 . . . . 0.0 108.787 177.133 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.73 -35.5 81.28 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.093 1.757 . . . . 0.0 108.907 177.344 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.16 -48.39 70.91 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 177.223 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.43 -45.27 80.84 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.944 1.298 . . . . 0.0 108.568 178.532 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.01 -45.04 96.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.129 0.972 . . . . 0.0 110.071 177.423 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -57.57 -43.77 84.78 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.718 1.145 . . . . 0.0 110.413 175.86 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -64.96 -44.24 90.06 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.101 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.98 93.75 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.567 1.076 . . . . 0.0 111.143 176.885 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.32 -46.38 90.08 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.16 0.984 . . . . 0.0 109.951 177.201 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.65 68.7 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.29 1.036 . . . . 0.0 110.909 178.346 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.8 m -62.3 -37.0 83.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.747 -0.595 . . . . 0.0 110.523 177.643 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -65.72 -51.29 60.49 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.073 -1.017 . . . . 0.0 111.93 177.828 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 p -61.83 -7.1 3.22 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.591 1.557 . . . . 0.0 115.024 178.188 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.92 -39.25 0.61 Allowed Glycine 0 CA--C 1.548 2.113 0 C-N-CA 124.894 1.235 . . . . 0.0 113.885 179.79 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -130.12 -11.81 4.16 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -177.33 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.38 0 CA-C-N 120.351 1.432 . . . . 0.0 114.289 -177.268 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -57.88 -52.98 63.23 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.353 1.461 . . . . 0.0 111.507 178.225 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -63.49 -27.57 69.37 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 121.183 -0.948 . . . . 0.0 111.219 178.584 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.68 73.82 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 119.003 0.82 . . . . 0.0 109.018 176.478 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.2 -51.15 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 119.777 1.172 . . . . 0.0 108.679 177.058 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.94 -39.07 77.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.44 0.696 . . . . 0.0 111.395 177.59 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.27 96.54 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.383 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.47 -44.7 90.22 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.05 177.379 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.96 -48.0 73.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.612 1.096 . . . . 0.0 109.956 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -59.68 -42.15 92.29 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.699 0.8 . . . . 0.0 110.085 179.132 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -69.27 -41.61 76.65 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.657 0.783 . . . . 0.0 111.552 179.234 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.75 -40.91 96.09 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.728 1.149 . . . . 0.0 108.29 176.603 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.29 -36.78 84.82 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 176.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.42 -43.48 94.22 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.297 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.3 -36.46 80.15 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.984 177.188 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -66.75 -37.0 83.75 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.036 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.25 -35.08 79.94 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.736 1.153 . . . . 0.0 109.194 176.965 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -66.71 -39.43 88.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.681 1.128 . . . . 0.0 109.577 175.639 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -68.36 -40.14 81.57 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 121.101 -0.999 . . . . 0.0 110.783 176.3 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.18 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.443 1.497 . . . . 0.0 110.089 175.98 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.02 81.31 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 120.068 -1.645 . . . . 0.0 107.995 178.689 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.5 m -58.68 -44.92 90.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.901 0.48 . . . . 0.0 110.407 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 6.0 t-20 -70.56 -41.79 71.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.111 -0.993 . . . . 0.0 113.254 -178.705 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -67.6 -30.67 70.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.054 0.942 . . . . 0.0 112.748 177.437 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.05 -49.88 3.41 Favored Glycine 0 CA--C 1.535 1.295 0 N-CA-C 115.661 1.025 . . . . 0.0 115.661 177.806 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -120.25 -6.45 9.88 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -177.298 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . . . . . . 0 N--CA 1.468 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 114.922 -178.141 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -58.04 -43.62 86.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 112.65 177.47 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -66.05 -32.47 73.95 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 120.532 1.515 . . . . 0.0 110.829 177.382 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -40.81 89.12 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.652 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.3 -45.0 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.905 0.882 . . . . 0.0 109.342 176.912 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.04 -36.58 70.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.635 1.107 . . . . 0.0 110.338 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.21 -49.26 62.63 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 176.181 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -58.58 -47.74 83.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.312 1.045 . . . . 0.0 109.949 177.137 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.11 -41.37 88.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.665 0.786 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.42 -41.1 98.7 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.429 0.692 . . . . 0.0 110.961 177.301 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -61.66 -51.06 70.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.106 0.962 . . . . 0.0 109.785 177.203 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.75 -41.26 97.43 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.805 -0.56 . . . . 0.0 111.408 177.164 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.65 -32.17 72.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 177.238 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -71.07 -42.55 69.25 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 176.472 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -61.88 -43.5 98.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.845 0.858 . . . . 0.0 109.312 176.966 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.78 -46.26 87.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.047 0.939 . . . . 0.0 109.81 177.044 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.55 -31.27 72.38 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.619 177.471 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -68.93 -45.1 71.69 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.817 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -59.99 -42.28 93.86 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.099 0.96 . . . . 0.0 110.455 176.682 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.422 1.089 . . . . 0.0 110.458 177.473 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.31 86.13 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.384 -0.823 . . . . 0.0 110.64 177.131 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.4 m -59.29 -48.79 80.3 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.43 -0.794 . . . . 0.0 111.816 177.075 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.38 -41.22 89.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.842 0.747 . . . . 0.0 112.683 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 p -70.78 -33.18 70.49 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.297 -0.877 . . . . 0.0 113.327 177.808 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.37 -25.82 22.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.538 1.066 . . . . 0.0 115.345 -179.036 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -152.25 24.02 0.63 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.084 1.942 . . . . 0.0 114.655 -178.844 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.544 0 C-N-CA 124.446 1.022 . . . . 0.0 112.982 178.206 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.9 tp . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -58.35 -51.61 69.06 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.732 1.213 . . . . 0.0 110.049 178.562 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -67.61 -27.09 66.6 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 119.229 0.922 . . . . 0.0 110.856 179.695 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.36 -43.96 54.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.048 . . . . 0.0 109.336 177.729 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.33 -48.03 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.809 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.26 -34.06 73.2 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.08 1.309 . . . . 0.0 108.164 177.377 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.28 -44.68 90.25 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 178.808 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.44 -47.56 85.57 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.612 1.706 . . . . 0.0 106.57 176.992 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.0 -37.02 78.46 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.448 1.022 . . . . 0.0 110.886 177.213 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.95 93.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.332 1.053 . . . . 0.0 110.081 176.724 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.89 -43.41 79.39 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.474 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.21 -37.15 86.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.648 -1.282 . . . . 0.0 108.385 179.241 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.433 -1.31 0 O-C-N 120.121 -1.612 . . . . 0.0 107.771 178.579 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -63.3 -45.93 89.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.33 1.452 . . . . 0.0 108.634 177.803 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.79 -47.37 85.95 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.678 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.59 -38.13 86.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 110.166 179.445 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.83 -36.06 81.49 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.368 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -66.97 -45.86 76.39 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 176.158 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.73 -33.13 68.13 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.819 175.244 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.86 -42.23 81.66 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.142 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.93 96.66 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.703 -1.248 . . . . 0.0 108.454 178.408 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.9 m -68.24 -55.81 10.9 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 122.065 -0.397 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.1 -38.9 58.84 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 177.186 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.89 -27.8 66.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.835 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.01 -22.29 12.27 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.499 1.045 . . . . 0.0 113.623 177.301 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.5 m -157.33 91.7 1.19 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 128.349 2.66 . . . . 0.0 108.941 -178.127 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.755 0 C-N-CA 124.09 0.853 . . . . 0.0 112.051 -177.537 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 118.636 -0.697 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -56.8 -47.11 80.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.383 1.073 . . . . 0.0 113.368 179.939 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -65.6 -33.92 77.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.122 1.328 . . . . 0.0 110.792 177.446 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -38.31 80.5 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.159 0.436 . . . . 0.0 109.881 176.408 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.01 1.724 . . . . 0.0 108.914 176.92 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.69 -47.6 79.52 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.43 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.76 97.72 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 179.123 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.59 -46.92 71.23 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 115.275 -2.297 . . . . 0.0 109.508 177.287 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.59 -40.93 84.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 120.236 1.38 . . . . 0.0 111.348 177.791 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 117.033 -1.461 . . . . 0.0 109.685 176.377 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.62 -43.14 90.45 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.741 175.797 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.24 -40.28 95.63 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 119.1 0.864 . . . . 0.0 108.986 177.943 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -34.81 77.29 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.434 -1.416 . . . . 0.0 109.646 177.321 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -42.86 99.76 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.387 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -58.1 -48.85 78.92 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.818 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.65 -42.51 88.53 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.396 -179.739 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.77 -45.2 94.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 120.088 1.313 . . . . 0.0 109.775 176.571 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -62.44 -39.69 94.17 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.827 -1.171 . . . . 0.0 110.071 178.063 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.07 -48.21 74.55 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.04 177.995 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.94 -41.54 99.52 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 119.754 1.161 . . . . 0.0 111.309 178.207 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -32.55 72.91 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -76.4 -55.09 5.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.1 1.36 . . . . 0.0 109.576 178.175 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -55.35 -39.9 70.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.92 1.688 . . . . 0.0 113.125 -177.721 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.9 p -62.56 -17.61 60.33 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 176.88 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.88 -29.16 4.46 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 125.643 1.592 . . . . 0.0 111.529 176.847 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -160.65 100.38 1.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.261 1.424 . . . . 0.0 109.678 -179.757 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.639 0 C-N-CA 128.057 2.742 . . . . 0.0 107.778 -177.545 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 118.653 -0.689 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -61.05 -48.43 81.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.702 1.137 . . . . 0.0 112.318 177.29 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -67.45 -27.66 67.23 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 119.789 1.177 . . . . 0.0 110.989 177.55 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.466 -0.771 . . . . 0.0 109.946 178.347 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.71 -49.06 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.166 1.386 . . . . 0.0 108.878 176.809 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.49 -41.98 95.39 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.518 1.054 . . . . 0.0 109.572 177.222 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.91 -45.22 96.23 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.013 0.816 . . . . 0.0 111.591 177.223 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.66 -47.11 76.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.607 1.204 . . . . 0.0 109.155 177.077 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.91 -54.69 39.37 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.479 1.512 . . . . 0.0 110.683 177.365 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.9 m -60.54 -35.69 76.62 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.691 0.678 . . . . 0.0 111.035 179.811 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -51.53 61.5 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.424 1.011 . . . . 0.0 109.939 177.146 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -64.64 -33.34 75.71 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.096 0.862 . . . . 0.0 111.521 177.485 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.69 -35.35 75.01 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.739 1.154 . . . . 0.0 108.501 177.225 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -67.64 -34.26 76.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.947 1.248 . . . . 0.0 107.713 176.384 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -70.58 -39.45 73.87 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.571 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.52 -41.2 98.71 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.784 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.86 -37.0 85.12 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.204 0.911 . . . . 0.0 108.73 177.168 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -68.29 -42.47 79.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.511 1.124 . . . . 0.0 108.709 177.345 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -63.37 -36.9 85.25 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.697 1.135 . . . . 0.0 108.736 177.318 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.57 -45.36 79.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.603 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.65 79.52 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.303 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.653 1.181 . . . . 0.0 108.89 178.162 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -60.96 -34.9 75.46 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.876 0.762 . . . . 0.0 111.898 177.654 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -69.14 -15.14 63.35 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.332 0.969 . . . . 0.0 111.992 177.558 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.13 -44.79 1.44 Allowed Glycine 0 C--N 1.346 1.116 0 C-N-CA 126.098 1.808 . . . . 0.0 109.393 -177.602 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -147.09 83.84 1.58 Allowed 'General case' 0 CA--C 1.538 0.514 0 O-C-N 119.967 -1.902 . . . . 0.0 110.28 179.776 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 C-N-CA 125.916 1.722 . . . . 0.0 110.48 178.884 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 N--CA 1.47 0.539 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -57.65 -50.1 74.29 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.052 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.1 p -65.83 -35.37 80.48 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 120.057 1.298 . . . . 0.0 111.257 178.749 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -42.51 73.77 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.265 -0.897 . . . . 0.0 111.585 177.33 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.15 -42.02 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.543 1.065 . . . . 0.0 109.313 176.731 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.56 -42.05 95.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.171 1.351 . . . . 0.0 108.03 177.785 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.28 99.52 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.211 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -64.79 -41.42 95.84 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.662 -1.161 . . . . 0.0 109.415 176.966 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.57 -45.21 95.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.643 1.11 . . . . 0.0 108.24 176.761 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 m -59.62 -37.92 79.94 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.051 0.841 . . . . 0.0 110.58 176.801 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.91 -47.97 78.45 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.758 1.223 . . . . 0.0 109.664 176.654 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.33 -33.29 74.94 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.641 1.109 . . . . 0.0 109.294 178.681 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.83 -37.84 82.44 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.241 1.837 . . . . 0.0 108.501 176.576 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -65.55 -37.14 85.85 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.995 1.318 . . . . 0.0 107.779 176.813 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.27 -41.12 90.35 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.188 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.245 1.384 . . . . 0.0 107.667 179.968 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.57 -35.52 81.07 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.979 -1.076 . . . . 0.0 110.07 176.575 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -64.81 -44.38 90.07 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 108.468 176.286 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.596 -1.315 . . . . 0.0 109.245 178.357 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.35 -43.52 96.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.902 1.281 . . . . 0.0 110.758 177.22 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.1 75.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.794 0.838 . . . . 0.0 109.862 177.322 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.3 m -60.7 -48.4 81.96 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.115 -0.991 . . . . 0.0 109.812 179.087 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.696 1.199 . . . . 0.0 111.572 -179.037 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -65.02 -17.58 64.56 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 176.729 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.75 -30.86 6.59 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.382 1.468 . . . . 0.0 112.239 176.566 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.3 m -162.94 98.37 0.95 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.826 2.45 . . . . 0.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.889 0 C-N-CA 125.688 1.613 . . . . 0.0 110.454 -177.491 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.9 tp . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -52.2 -52.41 52.35 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.483 1.513 . . . . 0.0 112.913 -179.279 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.8 p -65.99 -33.39 75.7 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.661 0.664 . . . . 0.0 111.71 177.806 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.92 74.28 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.041 0.837 . . . . 0.0 110.944 177.225 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.22 -48.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.131 1.332 . . . . 0.0 108.738 177.353 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 mt -54.87 -46.21 74.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.063 0.847 . . . . 0.0 109.391 177.296 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.76 98.32 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 177.725 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.69 -44.97 95.92 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.166 1.483 . . . . 0.0 109.54 177.118 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.22 -48.98 78.68 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.365 0.984 . . . . 0.0 109.359 177.155 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -39.68 89.81 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.995 177.608 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.38 -46.77 78.79 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.121 0.969 . . . . 0.0 111.04 177.115 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.41 -38.64 90.54 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.914 1.234 . . . . 0.0 109.764 177.1 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -63.54 -30.58 71.68 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.971 -1.08 . . . . 0.0 110.926 175.587 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.84 -48.28 63.9 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.857 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -58.38 -42.49 87.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.36 1.064 . . . . 0.0 109.469 177.086 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.12 -42.31 98.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.676 -0.678 . . . . 0.0 109.369 177.052 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.39 -39.72 94.15 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.039 0.836 . . . . 0.0 109.021 176.879 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -65.86 -45.42 82.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.182 0.901 . . . . 0.0 109.944 177.947 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -60.18 -45.05 94.44 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.807 0.843 . . . . 0.0 109.656 177.249 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.97 -45.12 95.02 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.415 1.086 . . . . 0.0 110.433 178.061 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.57 68.87 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.526 1.131 . . . . 0.0 111.347 177.765 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -76.66 -47.8 20.99 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 176.317 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.09 -39.64 79.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.518 1.527 . . . . 0.0 113.2 179.287 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -65.81 -21.0 66.46 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.522 1.129 . . . . 0.0 112.9 177.444 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.19 -26.55 6.93 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.837 1.208 . . . . 0.0 113.131 177.241 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -158.9 89.83 0.96 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.791 2.036 . . . . 0.0 110.818 178.043 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.305 0 CA-C-O 119.134 -0.815 . . . . 0.0 111.606 -178.972 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.5 -47.44 81.69 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.087 0.555 . . . . 0.0 111.881 178.243 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -62.44 -30.49 71.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.128 0.876 . . . . 0.0 110.466 176.724 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -45.56 77.74 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.62 0.768 . . . . 0.0 108.971 177.311 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.15 -51.6 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.726 1.21 . . . . 0.0 109.994 177.272 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.62 -48.83 71.76 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.773 0.715 . . . . 0.0 110.736 177.182 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.23 90.8 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.078 0.847 . . . . 0.0 111.735 177.505 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.4 -48.39 81.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.328 1.064 . . . . 0.0 110.721 176.903 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.9 mt -54.97 -46.77 75.09 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.572 1.078 . . . . 0.0 111.261 177.071 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m -64.86 -41.02 96.02 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.893 177.767 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -45.6 92.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.722 0.809 . . . . 0.0 111.998 177.057 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.94 -41.66 92.33 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.358 0.981 . . . . 0.0 109.481 177.523 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.5 mt -63.96 -36.39 83.79 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 121.213 -0.93 . . . . 0.0 110.825 176.626 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.81 -41.72 97.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.945 1.298 . . . . 0.0 110.46 176.601 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.99 -49.42 76.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.999 0.92 . . . . 0.0 108.792 176.743 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.1 mt -54.99 -45.39 75.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.329 1.052 . . . . 0.0 111.169 177.581 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -63.74 -37.51 87.63 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.117 0.871 . . . . 0.0 110.965 177.222 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -66.21 -42.67 88.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 110.363 177.385 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -62.46 -47.35 84.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.081 0.952 . . . . 0.0 108.942 177.487 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.75 -55.03 39.41 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.403 1.481 . . . . 0.0 110.813 177.659 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.23 -52.92 18.91 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.737 1.215 . . . . 0.0 110.422 177.497 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 m -58.98 -52.84 64.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.149 0.98 . . . . 0.0 111.674 178.192 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.42 -30.62 65.11 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 113.528 -177.545 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -58.75 -38.08 77.66 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.679 1.127 . . . . 0.0 112.735 179.371 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.68 -24.1 6.55 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.197 0.903 . . . . 0.0 114.499 -179.863 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -136.95 65.35 1.51 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.36 1.464 . . . . 0.0 110.399 -178.106 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 CA-C-O 119.087 -0.841 . . . . 0.0 113.777 -179.011 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.7 tp . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -58.46 -46.68 86.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 112.803 -178.999 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -67.48 -30.79 70.58 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.174 0.897 . . . . 0.0 110.934 176.933 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.24 -44.68 78.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.646 0.779 . . . . 0.0 110.296 176.617 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.17 -48.98 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.144 0.883 . . . . 0.0 108.741 177.468 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -54.07 -55.93 22.82 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.364 1.066 . . . . 0.0 110.532 177.169 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.93 92.26 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 123.548 0.594 . . . . 0.0 113.874 178.235 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.19 -51.14 65.22 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.873 0.869 . . . . 0.0 109.274 177.715 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.65 -36.34 78.45 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.512 0.725 . . . . 0.0 111.513 177.871 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -62.92 -37.81 88.46 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.813 1.188 . . . . 0.0 110.51 176.308 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -36.68 75.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.912 0.885 . . . . 0.0 109.883 176.831 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.26 -39.49 89.5 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.765 -1.21 . . . . 0.0 108.218 176.838 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.0 -30.78 71.39 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.113 -0.992 . . . . 0.0 109.191 176.725 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -67.11 -45.39 77.36 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 177.712 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -58.41 -44.07 88.88 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.023 0.828 . . . . 0.0 109.07 176.704 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.22 -37.52 83.33 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 117.263 -1.351 . . . . 0.0 110.119 177.047 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.93 -39.0 92.83 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 120.413 1.461 . . . . 0.0 108.363 176.795 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -63.9 -42.5 97.42 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.945 0.793 . . . . 0.0 109.559 176.763 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -64.64 -40.89 96.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.563 0.745 . . . . 0.0 110.412 177.331 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.66 -46.36 85.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.748 1.219 . . . . 0.0 111.007 177.257 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.06 71.64 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.246 177.571 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -73.44 -54.38 8.41 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 108.941 177.328 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -57.37 -32.41 66.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.219 1.808 . . . . 0.0 114.996 -177.363 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -63.21 -27.7 69.54 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.492 0.587 . . . . 0.0 112.469 177.541 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.37 -66.52 0.7 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.04 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.3 m -90.94 76.28 6.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.374 2.269 . . . . 0.0 109.495 177.452 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 116.212 1.245 . . . . 0.0 116.212 177.447 . . . . . . . . 0 0 . 1 . 078 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -59.56 -45.33 92.15 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 113.57 178.884 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.1 p -67.96 -34.99 77.63 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.471 1.032 . . . . 0.0 109.793 179.38 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -42.57 88.8 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.657 0.662 . . . . 0.0 110.09 177.192 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 t -64.13 -50.75 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.015 0.926 . . . . 0.0 109.581 177.414 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.57 -48.81 68.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 110.32 177.383 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.09 -51.65 57.05 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.241 0.925 . . . . 0.0 112.518 177.246 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -57.84 -42.93 85.43 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.872 1.336 . . . . 0.0 110.295 178.014 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.45 -45.81 90.55 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.967 0.803 . . . . 0.0 110.573 177.255 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.8 m -65.21 -33.72 76.67 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 116.582 -1.675 . . . . 0.0 110.833 176.977 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.72 -46.8 74.34 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.858 1.208 . . . . 0.0 109.382 177.422 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.83 -37.92 87.5 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.816 -1.177 . . . . 0.0 108.889 178.846 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 mt -63.57 -33.64 76.04 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.026 -1.671 . . . . 0.0 108.592 177.045 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -65.84 -36.73 84.29 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.01 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -66.28 -42.45 88.41 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.746 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.43 -40.57 97.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.266 0.939 . . . . 0.0 110.242 177.26 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.75 -38.27 90.49 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.397 0.999 . . . . 0.0 108.866 176.763 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 m -64.95 -46.52 81.22 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.336 1.055 . . . . 0.0 108.318 177.114 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.39 -37.42 87.21 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.468 -1.395 . . . . 0.0 107.924 179.532 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -60.87 -38.7 86.47 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.176 0.898 . . . . 0.0 110.083 178.947 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.37 -8.04 29.64 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.699 1.199 . . . . 0.0 113.75 176.387 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -104.6 -36.66 7.41 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 127.582 2.353 . . . . 0.0 106.72 177.387 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -63.67 -25.18 68.09 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 125.088 1.355 . . . . 0.0 109.625 -177.893 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -67.42 -0.21 3.49 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.49 1.916 . . . . 0.0 112.704 177.464 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.77 -78.44 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 128.552 2.977 . . . . 0.0 106.303 177.79 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -94.99 84.72 4.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.411 1.485 . . . . 0.0 109.224 178.444 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.263 0 O-C-N 121.553 -0.717 . . . . 0.0 114.399 179.244 . . . . . . . . 0 0 . 1 . 079 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 CA--C 1.545 0.76 0 CA-C-O 118.99 -0.528 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 079 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -58.59 -46.45 86.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 0.0 112.376 178.377 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.0 p -65.21 -24.69 67.43 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.531 1.06 . . . . 0.0 111.856 178.119 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -43.12 78.69 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.527 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.86 -58.41 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.009 1.323 . . . . 0.0 112.178 177.219 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.66 -40.28 78.98 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.114 1.766 . . . . 0.0 110.217 179.995 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.63 -43.33 76.84 Favored Glycine 0 CA--C 1.543 1.801 0 CA-C-O 117.433 -1.76 . . . . 0.0 108.816 179.513 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -63.41 -40.65 97.77 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.343 2.072 . . . . 0.0 109.862 177.008 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.34 -41.62 93.98 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.806 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -68.91 -37.26 78.84 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -176.816 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -44.36 89.49 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 120.988 1.722 . . . . 0.0 108.056 177.323 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -61.89 -39.12 90.85 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.355 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.41 -35.77 82.0 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.072 -1.642 . . . . 0.0 107.611 -179.373 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.86 -44.12 90.74 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.283 1.033 . . . . 0.0 108.638 176.061 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -61.87 -37.83 86.03 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.967 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.95 -37.01 85.37 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.921 178.27 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.95 -43.57 92.26 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.218 0.917 . . . . 0.0 108.62 177.404 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -64.58 -43.03 95.16 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.48 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -62.36 -40.6 96.97 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.057 -1.027 . . . . 0.0 108.958 177.165 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.96 -39.82 94.06 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.721 -1.237 . . . . 0.0 110.413 177.99 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.73 68.02 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 118.657 0.662 . . . . 0.0 111.122 177.251 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.9 m -86.37 -38.21 17.65 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.91 1.684 . . . . 0.0 110.337 174.797 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.65 -30.89 67.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.016 1.727 . . . . 0.0 113.137 -178.224 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -63.71 3.33 0.37 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.897 2.079 . . . . 0.0 112.98 177.826 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.54 -76.84 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 C-N-CA 130.116 3.722 . . . . 0.0 107.353 -178.507 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -89.37 77.52 7.35 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 126.557 1.943 . . . . 0.0 110.769 178.336 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.663 0 O-C-N 119.51 -1.994 . . . . 0.0 112.299 177.249 . . . . . . . . 0 0 . 1 . 080 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -58.41 -56.19 25.29 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.439 1.096 . . . . 0.0 113.053 -177.529 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.51 -34.52 78.1 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.545 0.611 . . . . 0.0 111.522 177.815 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 t -65.51 -45.0 85.24 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.288 0.949 . . . . 0.0 110.818 177.919 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.15 -48.99 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.75 177.129 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.97 -33.74 72.36 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.118 0.872 . . . . 0.0 110.916 177.202 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -44.28 57.44 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 177.684 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.11 -44.08 89.91 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.238 1.019 . . . . 0.0 109.09 177.842 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.62 -46.21 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.971 0.908 . . . . 0.0 109.718 176.714 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -60.36 -39.31 86.72 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.847 0.859 . . . . 0.0 111.549 175.528 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -49.87 73.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.349 1.06 . . . . 0.0 110.203 177.165 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.18 -38.49 91.39 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.293 -0.879 . . . . 0.0 109.79 178.201 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.1 -34.99 79.31 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 119.168 0.894 . . . . 0.0 109.038 177.083 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.63 -37.93 85.87 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 109.461 176.403 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.33 -44.92 86.24 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.486 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.25 -39.53 90.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.733 1.151 . . . . 0.0 111.142 176.134 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.86 -40.86 98.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.133 1.373 . . . . 0.0 109.844 177.914 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -72.22 -42.28 65.91 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.52 1.128 . . . . 0.0 109.646 177.179 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -58.75 -41.19 85.95 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.115 1.366 . . . . 0.0 109.114 177.109 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 tp -59.93 -51.66 68.76 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.177 1.391 . . . . 0.0 110.044 177.938 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.88 39.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.582 0.753 . . . . 0.0 109.951 178.107 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -61.17 -44.51 97.2 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.316 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.6 -35.85 66.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.406 1.483 . . . . 0.0 114.716 178.408 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.6 p -62.27 -10.34 10.63 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 177.688 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.0 -56.13 0.15 Allowed Glycine 0 N--CA 1.474 1.209 0 C-N-CA 126.723 2.106 . . . . 0.0 113.079 177.37 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -113.46 76.07 0.96 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.983 2.113 . . . . 0.0 110.85 176.65 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 C-N-CA 125.77 1.652 . . . . 0.0 109.927 177.395 . . . . . . . . 0 0 . 1 . 081 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 . . . . . . . . . 0 0 . 1 . 081 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -54.71 -52.47 62.35 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.286 1.034 . . . . 0.0 112.942 -177.824 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 p -69.65 -30.75 68.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.725 178.86 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -65.02 -42.14 94.67 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 120.417 1.462 . . . . 0.0 108.769 -179.049 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.8 -47.78 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.668 177.27 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.72 -43.98 77.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.301 0.955 . . . . 0.0 111.195 177.028 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.81 85.15 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 126.395 1.95 . . . . 0.0 110.613 178.201 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.84 -49.77 74.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.732 1.266 . . . . 0.0 110.085 177.295 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.14 -44.91 83.83 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.222 0.919 . . . . 0.0 110.524 177.011 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -60.71 -39.13 87.4 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.907 0.883 . . . . 0.0 111.115 177.3 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.43 -49.38 69.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.816 0.847 . . . . 0.0 110.287 177.32 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.8 -45.85 91.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.815 -1.178 . . . . 0.0 109.722 177.6 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -60.26 -43.08 96.46 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.529 1.132 . . . . 0.0 109.159 177.054 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.29 -39.08 93.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.842 -1.161 . . . . 0.0 110.1 179.259 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -58.91 -48.1 82.65 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 119.888 -1.757 . . . . 0.0 108.515 177.327 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.44 -45.78 84.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.899 1.28 . . . . 0.0 108.156 177.308 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 124.563 1.145 . . . . 0.0 108.408 -179.117 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -65.36 -48.55 72.58 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.551 1.069 . . . . 0.0 110.718 178.247 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -58.17 -49.39 77.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.54 0.736 . . . . 0.0 111.302 177.404 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.32 -51.23 70.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.118 1.767 . . . . 0.0 111.814 179.055 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.26 77.93 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.169 0.988 . . . . 0.0 110.719 177.564 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -67.1 -46.04 75.43 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.225 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -57.31 -38.55 74.2 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.289 1.836 . . . . 0.0 112.889 -178.925 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -11.34 19.9 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.062 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.05 -56.45 0.33 Allowed Glycine 0 CA--C 1.555 2.553 0 C-N-CA 127.267 2.365 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -128.73 85.19 2.3 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.827 2.051 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.697 0 N-CA-C 107.643 -2.183 . . . . 0.0 107.643 176.943 . . . . . . . . 0 0 . 1 . 082 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 082 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -52.92 -55.05 26.18 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.501 1.52 . . . . 0.0 112.903 -177.997 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.8 p -66.65 -38.19 86.35 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.203 -0.903 . . . . 0.0 112.0 177.698 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.29 -43.46 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.644 1.111 . . . . 0.0 113.201 -179.61 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.44 -52.98 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.137 0.881 . . . . 0.0 110.267 177.344 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.5 -44.85 93.0 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.729 0.412 . . . . 0.0 111.191 177.553 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.64 -44.81 93.84 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 124.339 0.971 . . . . 0.0 112.1 177.319 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -64.84 -40.86 95.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.177 0.989 . . . . 0.0 110.087 177.345 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.83 -41.97 98.46 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.551 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 m -62.89 -40.8 98.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.754 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.33 -47.58 85.42 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.798 1.239 . . . . 0.0 110.837 177.329 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.068 0.849 . . . . 0.0 110.009 177.472 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.88 -37.88 88.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.359 0.664 . . . . 0.0 109.666 177.702 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -62.34 -40.98 98.13 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.189 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.94 -46.53 84.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.464 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.54 -43.38 97.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.015 0.926 . . . . 0.0 109.89 178.248 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.16 -48.25 82.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.397 1.079 . . . . 0.0 109.861 177.121 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.3 m -62.99 -41.85 99.68 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.432 -0.792 . . . . 0.0 109.658 177.993 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.62 -48.74 80.43 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.393 -1.442 . . . . 0.0 107.995 -179.631 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.56 -49.59 76.92 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.32 0.964 . . . . 0.0 110.7 178.052 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -10.93 6.47 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.63 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -109.54 -36.95 5.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.64 1.576 . . . . 0.0 109.545 179.568 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.65 -31.63 66.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.47 1.508 . . . . 0.0 114.215 -176.842 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -61.58 -17.82 56.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.977 1.311 . . . . 0.0 113.13 178.516 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.2 -60.5 0.21 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 126.656 2.074 . . . . 0.0 112.075 177.124 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.3 m -111.21 73.83 0.84 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.275 1.83 . . . . 0.0 111.233 -179.177 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.389 0 C-N-CA 126.215 1.864 . . . . 0.0 111.617 177.373 . . . . . . . . 0 0 . 1 . 083 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 . . . . . . . . . 0 0 . 1 . 083 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -54.36 -34.71 61.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.855 1.262 . . . . 0.0 113.597 -177.306 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.8 p -94.5 -16.11 23.6 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.365 -0.834 . . . . 0.0 112.993 177.343 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -50.46 -64.69 0.73 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.479 1.512 . . . . 0.0 114.63 -177.283 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.12 -42.69 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.455 -178.027 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.47 -34.06 77.33 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.187 0.903 . . . . 0.0 111.609 177.421 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.95 59.64 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.737 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -56.9 -53.8 53.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.506 1.122 . . . . 0.0 108.058 177.026 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -56.62 -43.77 80.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.829 1.252 . . . . 0.0 112.484 178.636 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -63.92 -41.68 97.58 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.358 0.527 . . . . 0.0 112.194 177.464 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.24 -41.45 85.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.534 0.606 . . . . 0.0 109.751 176.531 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.49 -42.1 99.26 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.205 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.0 -41.47 99.59 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.393 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.06 -41.02 91.46 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.981 0.912 . . . . 0.0 109.782 178.036 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.12 -49.94 70.21 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.401 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.26 -43.7 83.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.692 1.197 . . . . 0.0 111.542 177.396 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.56 -37.94 85.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 110.273 176.464 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.7 m -67.05 -44.09 81.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.595 1.158 . . . . 0.0 110.93 176.301 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -61.14 -43.75 98.4 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.416 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.73 -42.53 99.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.945 1.298 . . . . 0.0 111.294 177.878 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.02 93.06 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.324 0.65 . . . . 0.0 109.892 179.373 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -58.51 -38.49 77.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.533 1.133 . . . . 0.0 111.981 176.655 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.414 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 22.3 t-20 -55.23 -47.19 75.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.781 1.233 . . . . 0.0 112.623 -179.15 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -26.4 2.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.259 2.224 . . . . 0.0 116.43 -177.935 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -22.03 0.63 Allowed Glycine 0 N--CA 1.476 1.317 0 N-CA-C 116.163 1.225 . . . . 0.0 116.163 -178.605 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -128.77 -0.69 5.4 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.082 1.441 . . . . 0.0 114.801 -176.899 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . . . . . . 0 C--N 1.339 0.707 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 177.785 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 084 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -48.82 -40.14 28.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.462 1.905 . . . . 0.0 113.315 177.171 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -98.76 -29.37 13.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 177.514 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.4 -50.97 71.91 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.431 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.68 -57.02 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.933 1.242 . . . . 0.0 111.022 -177.435 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.51 -42.88 83.65 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.849 -0.532 . . . . 0.0 110.964 177.268 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.86 87.63 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.758 1.171 . . . . 0.0 112.395 177.354 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.35 -44.21 97.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.725 1.262 . . . . 0.0 110.227 177.454 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.12 -53.11 62.0 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.58 0.627 . . . . 0.0 109.962 177.236 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -58.2 -45.38 87.73 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.442 1.097 . . . . 0.0 112.789 177.997 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.9 -43.21 96.66 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.512 1.051 . . . . 0.0 113.047 -178.792 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.41 -36.77 74.23 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.065 -1.445 . . . . 0.0 110.265 176.052 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -62.85 -36.43 83.21 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.016 0.826 . . . . 0.0 110.347 177.1 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.82 -41.39 91.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.58 1.152 . . . . 0.0 109.599 178.956 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.01 -48.13 77.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.423 -0.798 . . . . 0.0 108.965 177.991 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt -55.88 -42.22 75.61 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 124.736 1.215 . . . . 0.0 109.222 177.412 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -60.5 -41.18 93.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.701 1.2 . . . . 0.0 110.417 177.127 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -62.32 -46.11 90.2 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.492 -1.38 . . . . 0.0 109.738 175.963 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -64.42 -34.3 77.87 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 118.978 0.808 . . . . 0.0 111.678 176.93 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.27 -39.9 92.1 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.497 176.61 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.65 93.29 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.445 1.09 . . . . 0.0 108.552 176.583 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -67.19 -41.16 86.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.928 -1.108 . . . . 0.0 108.713 179.95 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.65 -48.61 80.99 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.007 -1.058 . . . . 0.0 113.039 177.124 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -71.52 -30.62 66.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.365 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.77 -59.16 1.28 Allowed Glycine 0 C--N 1.346 1.095 0 N-CA-C 117.183 1.633 . . . . 0.0 117.183 -177.886 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -101.4 -10.11 20.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -177.899 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.072 0 O-C-N 118.644 -2.535 . . . . 0.0 113.659 -176.793 . . . . . . . . 0 0 . 1 . 085 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 . . . . . . . . . 0 0 . 1 . 085 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -48.43 -60.83 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.717 2.007 . . . . 0.0 113.386 -178.745 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.2 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.511 -0.281 . . . . 0.0 111.369 -179.87 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.3 t -67.02 -40.32 87.24 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.055 -1.028 . . . . 0.0 113.717 -178.657 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.88 -49.69 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 CA-C-N 119.148 0.885 . . . . 0.0 109.777 177.291 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.59 -42.59 98.27 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.194 178.892 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.52 56.64 Favored Glycine 0 N--CA 1.472 1.087 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 177.188 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.91 -52.03 67.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 118.316 -0.849 . . . . 0.0 108.942 178.742 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.19 -48.97 77.42 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.824 0.738 . . . . 0.0 112.809 -178.328 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.8 m -60.56 -34.95 74.92 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 119.111 0.869 . . . . 0.0 109.537 177.132 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -70.94 -39.73 72.46 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 116.156 -1.878 . . . . 0.0 107.532 179.448 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 -179.821 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.44 -38.22 90.31 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.823 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -69.83 -31.51 69.43 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.335 -179.411 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -62.06 -40.53 96.11 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.905 1.23 . . . . 0.0 109.074 175.361 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.8 -38.03 89.05 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.206 0.941 . . . . 0.0 110.117 175.918 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.46 -35.28 80.42 Favored 'General case' 0 C--N 1.366 1.324 0 CA-C-N 118.715 0.689 . . . . 0.0 109.213 177.363 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -64.87 -44.42 89.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.017 -1.677 . . . . 0.0 108.77 178.45 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -64.87 -43.78 91.86 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.407 -0.808 . . . . 0.0 110.013 178.014 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.25 -44.22 95.44 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 126.251 1.82 . . . . 0.0 111.805 176.987 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.8 96.39 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 123.853 0.861 . . . . 0.0 109.779 176.306 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -62.76 -43.61 98.34 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.168 0.987 . . . . 0.0 109.739 177.832 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -61.74 -33.52 74.19 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.2 1.0 . . . . 0.0 110.459 178.154 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -75.88 -54.12 7.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.103 0.961 . . . . 0.0 112.991 177.342 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.89 -14.39 72.69 Favored Glycine 0 CA--C 1.541 1.684 0 N-CA-C 117.744 1.858 . . . . 0.0 117.744 -177.389 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.69 -20.96 0.82 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 119.355 1.578 . . . . 0.0 113.58 -177.927 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 O-C-N 120.628 -1.295 . . . . 0.0 112.556 179.095 . . . . . . . . 0 0 . 1 . 086 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.8 mt . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 086 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -23.88 -69.41 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -178.085 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.261 80.1 p -68.83 -34.08 74.91 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 177.244 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.2 t -69.69 -39.56 76.88 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.089 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.37 -49.52 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.393 1.477 . . . . 0.0 108.762 177.026 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.89 -52.32 65.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.709 0.804 . . . . 0.0 110.798 177.497 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.23 59.51 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 123.867 0.746 . . . . 0.0 112.171 177.522 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -61.15 -50.39 73.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.632 0.773 . . . . 0.0 111.092 177.237 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.15 -52.8 57.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.057 1.343 . . . . 0.0 112.26 178.105 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.94 -36.84 80.39 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.462 0.705 . . . . 0.0 111.601 177.058 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -70.66 -41.26 72.33 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 119.825 1.193 . . . . 0.0 111.101 178.606 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.96 -37.52 87.72 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.045 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -66.07 -38.74 89.07 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.263 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.95 -37.59 88.15 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.44 -0.788 . . . . 0.0 110.066 178.69 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -62.02 -44.88 95.77 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.461 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.7 mt -63.13 -33.41 75.41 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-O 117.355 -1.307 . . . . 0.0 108.615 -179.734 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.24 -35.43 80.39 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 119.566 1.075 . . . . 0.0 109.108 176.321 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -65.66 -42.78 90.98 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.092 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -64.46 -44.84 89.8 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.035 0.534 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 tp -57.02 -49.2 76.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.121 1.768 . . . . 0.0 111.881 176.629 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.74 78.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.943 . . . . 0.0 110.474 177.858 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -59.03 -43.51 91.61 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.167 0.987 . . . . 0.0 111.874 178.133 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.26 -31.87 73.25 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.158 -0.964 . . . . 0.0 112.006 178.009 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.4 m -75.72 -46.85 28.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.367 1.467 . . . . 0.0 112.575 179.604 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.92 -18.04 48.97 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 116.589 1.395 . . . . 0.0 116.589 -178.81 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -130.25 -51.52 1.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.625 1.213 . . . . 0.0 113.807 -177.5 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.47 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -177.666 . . . . . . . . 0 0 . 1 . 087 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 . . . . . . . . . 0 0 . 1 . 087 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -42.71 -64.94 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.444 1.498 . . . . 0.0 114.608 -176.871 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -81.81 -19.95 40.09 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.282 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.92 -43.6 62.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 119.629 -1.92 . . . . 0.0 111.899 178.939 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.1 -52.5 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 124.637 1.175 . . . . 0.0 109.492 177.352 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -44.72 91.79 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.309 0.644 . . . . 0.0 111.147 177.425 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.36 90.03 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.488 -0.618 . . . . 0.0 111.721 176.994 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.91 -46.51 87.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.1 177.29 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 mt -55.16 -51.75 65.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.932 1.242 . . . . 0.0 110.269 177.388 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -61.28 -40.31 93.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.582 0.753 . . . . 0.0 112.545 177.452 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -69.37 -42.14 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.667 1.122 . . . . 0.0 112.033 177.625 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -66.72 -34.58 78.15 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 120.38 1.445 . . . . 0.0 108.861 176.577 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.24 -44.11 96.13 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 174.582 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.78 -35.8 81.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 120.02 -1.675 . . . . 0.0 109.299 179.576 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -66.99 -40.14 87.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.173 -1.579 . . . . 0.0 107.393 178.67 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.64 -43.83 97.81 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.287 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.8 -36.87 82.37 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.769 -1.207 . . . . 0.0 109.163 177.03 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -64.99 -50.08 67.71 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.835 1.254 . . . . 0.0 109.841 176.043 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -58.09 -42.37 85.47 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.726 -1.234 . . . . 0.0 110.654 177.275 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.31 -44.88 95.49 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 126.065 1.746 . . . . 0.0 109.65 179.056 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.08 -53.31 57.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.874 1.27 . . . . 0.0 111.066 175.858 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.8 m -57.28 -38.76 74.44 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.087 -1.633 . . . . 0.0 110.864 177.178 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -68.26 -37.8 81.09 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.097 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.7 m -68.22 -43.34 78.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.173 1.389 . . . . 0.0 112.533 178.212 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.09 49.14 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 -177.056 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 m -136.02 -47.5 0.66 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.144 1.472 . . . . 0.0 114.567 179.429 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.509 0 O-C-N 121.023 -1.048 . . . . 0.0 113.757 -178.508 . . . . . . . . 0 0 . 1 . 088 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 088 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -43.91 -56.0 4.21 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.843 1.657 . . . . 0.0 113.667 -177.288 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -77.57 -41.34 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -61.5 -35.03 76.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.555 0.742 . . . . 0.0 112.959 -177.692 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.68 -52.28 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.699 1.199 . . . . 0.0 109.945 177.249 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.8 -51.63 68.94 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.14 0.976 . . . . 0.0 111.631 177.689 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.42 -49.74 50.44 Favored Glycine 0 N--CA 1.47 0.936 0 C-N-CA 124.621 1.105 . . . . 0.0 112.191 177.843 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -60.83 -50.14 74.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.599 177.483 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.1 tp -54.97 -47.58 74.36 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.556 178.426 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -43.36 91.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 117.536 -1.221 . . . . 0.0 112.296 177.539 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -67.43 -42.45 83.15 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.813 1.188 . . . . 0.0 112.038 177.034 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.42 -39.85 92.64 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.181 0.901 . . . . 0.0 109.157 179.695 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.2 -37.34 87.12 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.392 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -65.82 -39.12 90.57 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 122.019 -0.425 . . . . 0.0 110.164 177.53 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.87 -35.18 79.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.219 -0.926 . . . . 0.0 109.393 177.44 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 176.892 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -59.23 -41.81 89.54 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.541 1.064 . . . . 0.0 109.692 176.785 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -60.29 -54.58 44.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.622 1.169 . . . . 0.0 111.077 177.194 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -56.3 -45.54 80.21 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.728 -1.232 . . . . 0.0 112.064 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.82 -36.76 84.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.64 1.176 . . . . 0.0 112.225 176.762 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.81 -48.19 72.53 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.015 -1.053 . . . . 0.0 109.157 177.189 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.1 m -56.79 -41.17 77.22 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.617 1.567 . . . . 0.0 110.269 176.578 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -63.82 -41.71 97.81 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.479 -1.388 . . . . 0.0 110.101 178.463 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.4 m -69.48 -35.39 75.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.793 0.837 . . . . 0.0 111.733 -179.113 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.95 -24.89 23.89 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 115.974 1.149 . . . . 0.0 115.974 -177.14 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -135.45 -38.88 0.74 Allowed 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.767 1.283 . . . . 0.0 114.004 -178.261 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.578 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -178.618 . . . . . . . . 0 0 . 1 . 089 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 089 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -45.31 -60.52 2.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.604 1.561 . . . . 0.0 113.72 -177.336 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -73.1 -37.28 66.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.51 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -69.12 -48.59 62.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.401 1.001 . . . . 0.0 113.684 -177.414 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -55.09 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.733 1.213 . . . . 0.0 110.119 -179.283 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.06 -44.37 96.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.931 -0.557 . . . . 0.0 110.598 177.518 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.19 -49.92 54.08 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.775 1.178 . . . . 0.0 112.647 177.184 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -60.02 -50.79 72.33 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 117.569 0.684 . . . . 0.0 110.258 177.332 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -55.17 -45.92 75.77 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.11 0.564 . . . . 0.0 111.25 177.471 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -63.96 -41.38 97.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.82 0.848 . . . . 0.0 111.019 178.676 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.6 -45.21 87.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.431 1.014 . . . . 0.0 111.553 177.316 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.32 -38.66 91.84 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.685 -1.259 . . . . 0.0 109.138 177.103 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.82 -39.19 93.65 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.387 -0.821 . . . . 0.0 109.034 176.991 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.41 -40.8 97.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.605 1.162 . . . . 0.0 109.396 177.321 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -62.02 -42.21 98.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.411 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.87 -42.43 93.72 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.809 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.16 -38.01 87.4 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.467 177.137 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -63.32 -42.4 98.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.098 1.317 . . . . 0.0 109.839 176.93 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.08 -43.28 95.92 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.235 -0.915 . . . . 0.0 109.562 177.395 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.67 -45.95 90.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.098 0.959 . . . . 0.0 110.08 177.305 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.32 84.63 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.278 0.944 . . . . 0.0 109.706 177.277 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.3 m -62.8 -35.57 80.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.524 1.13 . . . . 0.0 110.438 177.059 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -69.88 -51.24 34.85 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.167 -0.958 . . . . 0.0 111.226 177.146 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -59.7 -26.91 65.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.444 1.497 . . . . 0.0 113.174 177.721 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.28 -48.75 2.34 Favored Glycine 0 N--CA 1.472 1.059 0 C-N-CA 124.356 0.979 . . . . 0.0 113.868 179.757 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -117.31 -48.99 2.6 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -177.355 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -177.423 . . . . . . . . 0 0 . 1 . 090 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 090 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -45.02 -52.19 9.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.128 1.771 . . . . 0.0 112.681 -177.939 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -88.59 -40.49 13.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 178.041 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.36 -34.15 77.5 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.367 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -74.24 -52.8 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.905 0.882 . . . . 0.0 109.7 177.395 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.84 -44.97 91.07 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.188 0.595 . . . . 0.0 112.05 177.987 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.34 -49.63 67.39 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 118.993 0.815 . . . . 0.0 112.333 177.409 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.36 -42.17 98.88 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 119.137 -0.458 . . . . 0.0 110.766 177.197 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.37 -47.23 84.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 109.727 177.416 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -40.81 96.4 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.932 0.893 . . . . 0.0 110.2 177.79 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -64.37 -43.79 93.4 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-N 119.856 1.207 . . . . 0.0 109.808 178.351 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.56 -36.49 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.764 0.711 . . . . 0.0 109.99 176.346 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.85 -38.88 92.47 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.865 -1.772 . . . . 0.0 108.296 177.524 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -36.02 82.87 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 177.491 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.48 -48.59 72.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 176.561 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -54.85 -45.55 74.53 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.938 1.295 . . . . 0.0 110.805 176.992 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -59.91 -47.73 84.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.026 0.93 . . . . 0.0 109.263 177.505 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.7 m -62.6 -40.11 95.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.064 1.345 . . . . 0.0 112.239 177.702 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -61.29 -52.55 64.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.348 1.059 . . . . 0.0 109.822 177.669 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.33 -51.16 70.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.313 1.045 . . . . 0.0 111.641 177.344 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.48 76.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.528 0.731 . . . . 0.0 111.283 177.506 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.8 m -66.4 -38.04 86.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.809 0.844 . . . . 0.0 110.535 177.862 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.18 -43.26 99.22 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.278 0.945 . . . . 0.0 111.758 177.731 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -19.17 65.2 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.017 1.727 . . . . 0.0 113.116 178.32 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.78 -45.21 0.66 Allowed Glycine 0 N--CA 1.475 1.285 0 CA-C-N 119.454 1.025 . . . . 0.0 115.234 179.7 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 m -117.27 -9.82 10.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.726 2.01 . . . . 0.0 115.635 -178.149 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.206 0 CA-C-N 119.748 1.158 . . . . 0.0 112.802 -178.253 . . . . . . . . 0 0 . 1 . 091 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 091 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -47.79 -50.51 25.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.858 1.663 . . . . 0.0 112.625 -177.594 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.3 p -84.02 -41.78 16.87 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.505 0.722 . . . . 0.0 112.494 177.673 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -63.24 -48.89 76.31 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.144 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.41 -57.12 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.204 0.911 . . . . 0.0 112.88 177.435 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.95 -40.06 94.43 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.753 0.821 . . . . 0.0 112.003 -179.738 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.15 -42.25 97.03 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 123.956 0.789 . . . . 0.0 112.077 176.263 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.39 -43.03 91.93 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 117.004 -1.474 . . . . 0.0 109.008 177.131 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.44 -39.21 70.01 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.154 0.909 . . . . 0.0 109.466 177.253 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -63.92 -46.11 86.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.794 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.92 -38.64 91.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.38 -44.46 94.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.983 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.3 -39.38 90.24 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.337 1.055 . . . . 0.0 109.21 177.025 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.58 -39.28 91.44 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.308 -0.87 . . . . 0.0 109.559 177.456 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -62.66 -35.69 80.45 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.655 -1.278 . . . . 0.0 109.025 176.667 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.24 -39.67 91.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.445 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.45 -39.47 94.56 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.38 -1.45 . . . . 0.0 108.399 176.99 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -64.94 -40.74 95.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 0.0 109.224 177.908 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.54 -42.4 95.75 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.026 -1.464 . . . . 0.0 108.348 177.112 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -56.39 -51.47 68.21 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 121.002 1.728 . . . . 0.0 109.394 178.139 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -44.67 88.84 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.971 0.908 . . . . 0.0 111.521 177.421 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -60.91 -37.6 82.84 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.862 0.865 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -68.0 -54.55 17.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.102 1.361 . . . . 0.0 108.686 177.26 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.6 m -51.72 -36.64 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.629 1.972 . . . . 0.0 113.757 177.192 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.52 -36.07 6.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.111 -1.383 . . . . 0.0 115.653 -178.652 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -133.98 -49.01 0.8 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.259 1.529 . . . . 0.0 114.724 -177.154 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.102 0 N-CA-C 116.316 1.286 . . . . 0.0 116.316 -177.164 . . . . . . . . 0 0 . 1 . 092 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 . . . . . . . . . 0 0 . 1 . 092 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -50.9 -30.5 14.84 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.356 1.863 . . . . 0.0 113.743 -178.288 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.4 p -111.43 -35.42 5.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.024 1.329 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.82 -44.69 72.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.662 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.23 -43.96 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.443 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.31 -47.78 84.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 110.976 177.007 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.15 98.22 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-O 118.44 -1.2 . . . . 0.0 113.159 177.575 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -66.15 -43.75 86.12 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.146 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.8 tp -58.97 -46.24 88.57 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.327 0.651 . . . . 0.0 109.279 177.185 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -58.84 -46.06 88.59 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.843 -1.16 . . . . 0.0 110.591 177.591 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -58.58 -55.23 37.79 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.416 1.086 . . . . 0.0 111.06 178.065 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.0 -41.15 95.98 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.317 -0.865 . . . . 0.0 111.45 179.179 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.7 -36.88 84.89 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.916 -1.115 . . . . 0.0 109.635 178.344 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -67.76 -34.24 76.42 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.368 -1.457 . . . . 0.0 108.96 178.262 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -64.74 -42.84 94.88 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.967 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.62 -41.28 90.07 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.717 178.428 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.2 -40.38 89.89 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.072 1.305 . . . . 0.0 109.304 178.106 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -68.08 -41.29 82.11 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.743 1.217 . . . . 0.0 109.85 177.85 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -61.07 -36.23 79.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.233 1.013 . . . . 0.0 109.598 178.702 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.349 0.977 . . . . 0.0 108.944 178.309 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.79 91.21 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 119.67 1.123 . . . . 0.0 108.875 177.033 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.8 m -64.72 -35.14 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.068 0.855 . . . . 0.0 109.322 -179.759 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.49 -45.82 82.13 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.622 -1.299 . . . . 0.0 110.608 177.92 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -58.21 -39.4 78.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.524 1.13 . . . . 0.0 112.17 178.51 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -24.75 20.44 Favored Glycine 0 N--CA 1.468 0.819 0 N-CA-C 116.989 1.556 . . . . 0.0 116.989 -178.35 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -136.77 -47.87 0.61 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -177.228 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 C-N-CA 126.664 2.078 . . . . 0.0 117.582 -177.602 . . . . . . . . 0 0 . 1 . 093 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 0 0 . 1 . 093 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -52.93 -34.39 55.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.605 1.562 . . . . 0.0 113.266 -178.435 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 p -102.49 -33.07 9.65 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.197 0.999 . . . . 0.0 113.077 176.803 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.94 -42.29 97.36 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.198 -178.229 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.32 -58.53 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.503 1.047 . . . . 0.0 110.902 178.208 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.11 -42.84 91.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.574 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.41 -48.65 74.26 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.199 0.904 . . . . 0.0 111.356 177.744 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.35 -46.37 86.9 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.06 177.172 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.05 -45.3 75.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.055 0.843 . . . . 0.0 112.143 177.329 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.19 -40.4 93.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.3 1.04 . . . . 0.0 111.154 177.328 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -65.43 -45.66 82.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.549 0.74 . . . . 0.0 109.662 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.26 -35.87 82.24 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.443 -0.786 . . . . 0.0 110.181 176.982 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.23 -40.19 90.09 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.865 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -66.04 -39.86 90.51 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.15 -40.81 74.41 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.893 0.877 . . . . 0.0 110.353 176.445 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.1 mt -55.76 -39.39 71.15 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.933 0.788 . . . . 0.0 110.009 179.577 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -63.36 -45.56 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.856 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -40.37 97.06 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 111.176 177.619 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.1 m-30 -62.85 -47.07 84.99 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.162 0.985 . . . . 0.0 110.245 176.0 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.26 -43.92 92.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.573 1.549 . . . . 0.0 111.063 177.61 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.39 81.53 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -61.41 -40.13 93.3 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 111.94 177.533 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -64.03 -49.48 72.22 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.452 1.101 . . . . 0.0 111.857 176.017 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.8 m -63.42 -40.19 96.52 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.501 1.12 . . . . 0.0 111.626 178.865 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.63 -13.06 68.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 -178.001 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -156.84 -42.93 0.07 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.878 1.839 . . . . 0.0 115.128 -179.131 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.512 0 C-N-CA 124.718 1.151 . . . . 0.0 115.584 -177.473 . . . . . . . . 0 0 . 1 . 094 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 . . . . . . . . . 0 0 . 1 . 094 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -43.04 -46.52 5.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.448 1.899 . . . . 0.0 114.701 -178.113 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -81.98 -43.59 17.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.784 0.802 . . . . 0.0 112.082 177.931 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -55.19 -57.76 10.44 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -178.056 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -44.62 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 120.184 1.356 . . . . 0.0 114.239 -178.301 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.84 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.933 1.242 . . . . 0.0 110.071 177.321 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.91 98.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 177.273 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -62.83 -46.71 86.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.151 -0.928 . . . . 0.0 108.829 177.148 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.08 -44.26 78.8 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.03 0.832 . . . . 0.0 109.922 177.566 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.62 -47.13 85.4 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.963 0.801 . . . . 0.0 110.184 177.371 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.15 -36.38 79.57 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 179.618 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -66.94 -40.94 87.68 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.238 1.381 . . . . 0.0 108.389 176.872 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 120.22 -1.55 . . . . 0.0 108.991 176.327 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.38 -39.5 92.33 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 177.475 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -61.92 -39.84 93.43 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.965 -1.084 . . . . 0.0 109.824 175.46 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.7 -40.46 88.01 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.135 0.88 . . . . 0.0 109.694 175.771 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.41 -40.28 96.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.018 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -65.01 -37.6 88.16 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.759 1.224 . . . . 0.0 110.84 176.346 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -66.05 -46.73 76.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.779 1.231 . . . . 0.0 108.606 177.353 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.28 -47.61 83.1 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.358 0.981 . . . . 0.0 110.038 178.29 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.29 48.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.758 0.823 . . . . 0.0 110.456 177.52 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -57.52 -36.63 71.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.349 1.06 . . . . 0.0 112.181 178.002 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -68.15 -46.56 70.44 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.425 -0.797 . . . . 0.0 111.357 177.054 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.8 m -61.06 -34.21 74.54 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.894 1.678 . . . . 0.0 112.189 178.858 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.18 -16.34 25.56 Favored Glycine 0 CA--C 1.541 1.669 0 N-CA-C 117.012 1.565 . . . . 0.0 117.012 -178.972 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -152.96 -36.34 0.11 Allowed 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -178.155 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.55 0 CA-C-O 117.848 -1.529 . . . . 0.0 115.645 -177.527 . . . . . . . . 0 0 . 1 . 095 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 095 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -39.34 -64.42 0.47 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.001 2.12 . . . . 0.0 115.497 -177.203 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.4 p -74.62 -25.57 59.32 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.209 -0.932 . . . . 0.0 111.691 -179.198 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.86 -43.25 84.07 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.613 -1.305 . . . . 0.0 109.717 178.18 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.06 -53.82 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.436 1.495 . . . . 0.0 109.097 177.286 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 tp -56.39 -46.79 79.94 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.664 0.786 . . . . 0.0 111.846 178.748 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.69 -49.62 75.56 Favored Glycine 0 CA--C 1.544 1.876 0 C-N-CA 124.577 1.084 . . . . 0.0 110.402 179.27 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.19 -42.35 99.33 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.086 177.163 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.07 -48.97 72.79 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.762 1.619 . . . . 0.0 109.84 177.29 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -64.75 -46.84 80.5 Favored 'General case' 0 C--O 1.245 0.86 0 O-C-N 121.422 -0.799 . . . . 0.0 109.742 179.536 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -62.35 -45.49 92.94 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 119.831 -1.793 . . . . 0.0 111.645 -179.595 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.98 -34.3 77.78 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 -179.465 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.7 -38.7 87.27 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 119.679 -1.888 . . . . 0.0 108.833 176.761 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.49 -41.54 96.4 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.126 177.013 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.51 -40.76 97.89 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 120.798 -1.189 . . . . 0.0 108.946 177.471 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.21 -45.51 83.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.818 0.847 . . . . 0.0 108.748 177.059 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.35 -37.38 85.43 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.694 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -66.1 -41.41 90.66 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.346 1.058 . . . . 0.0 111.377 177.633 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.57 -41.55 92.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.392 1.451 . . . . 0.0 108.584 176.616 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.45 -39.96 92.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.011 0.924 . . . . 0.0 110.083 177.164 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.35 82.13 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.974 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.4 m -59.51 -40.67 87.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.883 1.673 . . . . 0.0 109.326 177.159 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -68.54 -43.27 77.05 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.892 -1.13 . . . . 0.0 110.353 177.918 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.1 m -65.26 -34.81 79.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.31 1.444 . . . . 0.0 114.383 177.5 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.62 -14.52 37.37 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.92 1.528 . . . . 0.0 116.92 179.425 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 m -144.27 -49.76 0.28 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.14 1.47 . . . . 0.0 114.222 -177.877 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.315 0 C-N-CA 124.848 1.213 . . . . 0.0 115.351 -175.944 . . . . . . . . 0 0 . 1 . 096 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 . . . . . . . . . 0 0 . 1 . 096 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -50.38 -49.02 55.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.792 1.237 . . . . 0.0 112.248 -175.149 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -82.46 -36.64 26.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 177.223 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.51 -49.09 70.25 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.83 -1.169 . . . . 0.0 112.47 -178.409 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.05 -49.16 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 120.855 -1.153 . . . . 0.0 110.353 177.537 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tp -54.92 -52.6 62.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.486 1.114 . . . . 0.0 111.222 177.381 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.86 -48.55 84.88 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.68 1.609 . . . . 0.0 112.093 178.068 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.71 -47.06 86.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.495 1.147 . . . . 0.0 110.913 177.305 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.65 -50.16 70.97 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.615 1.098 . . . . 0.0 109.512 177.272 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.1 -42.39 98.43 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 120.821 -1.175 . . . . 0.0 110.507 178.288 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -63.72 -45.7 88.76 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 120.687 -1.258 . . . . 0.0 110.8 177.121 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -61.38 -37.07 82.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 121.601 2.001 . . . . 0.0 107.925 177.981 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.43 -35.25 78.87 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.161 -0.962 . . . . 0.0 108.407 178.591 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -68.09 -37.49 81.26 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.874 0.87 . . . . 0.0 109.112 177.355 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.48 -46.37 86.49 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.322 -1.486 . . . . 0.0 107.201 176.234 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.81 -43.85 85.99 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.968 1.307 . . . . 0.0 109.705 176.966 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.74 -39.04 92.86 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.137 0.975 . . . . 0.0 109.268 177.13 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.0 m -65.61 -42.61 91.4 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.148 1.379 . . . . 0.0 109.615 177.205 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -64.96 -41.83 95.13 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 120.988 -1.07 . . . . 0.0 108.986 178.11 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.97 -42.3 99.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.588 1.155 . . . . 0.0 110.446 178.091 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.33 -49.35 74.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.064 0.946 . . . . 0.0 108.935 177.586 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.5 m -57.46 -43.14 83.75 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.101 1.36 . . . . 0.0 110.723 177.141 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.21 -39.89 89.94 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.316 -0.865 . . . . 0.0 111.787 177.21 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -70.69 -33.99 71.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.31 1.044 . . . . 0.0 113.122 178.124 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 -23.45 31.3 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 115.679 1.031 . . . . 0.0 115.679 179.493 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 m -147.84 -39.87 0.18 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.276 1.538 . . . . 0.0 115.063 -177.483 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.793 0 CA-C-N 120.162 1.346 . . . . 0.0 115.485 -178.428 . . . . . . . . 0 0 . 1 . 097 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 117.942 -1.027 . . . . 0.0 112.782 . . . . . . . . . 0 0 . 1 . 097 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -35.45 -61.54 0.44 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.047 1.739 . . . . 0.0 115.682 -177.055 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.6 p -64.71 -45.91 84.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.947 -0.471 . . . . 0.0 111.664 179.989 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.0 t -58.83 -38.05 77.81 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.959 1.304 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.66 -52.92 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.608 1.563 . . . . 0.0 110.123 177.233 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.63 -45.16 89.85 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.167 0.587 . . . . 0.0 111.716 178.041 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.59 -52.66 51.76 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.347 1.451 . . . . 0.0 111.916 175.786 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.585 1.192 . . . . 0.0 111.028 177.176 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.29 -47.7 80.79 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.578 1.081 . . . . 0.0 110.437 177.981 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -62.72 -44.58 95.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.059 -0.972 . . . . 0.0 111.877 176.813 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.86 -45.71 81.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.734 1.152 . . . . 0.0 111.429 -179.629 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -61.62 -40.17 93.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.944 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.29 -34.79 78.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.706 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -62.94 -35.42 80.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.995 1.718 . . . . 0.0 110.124 178.187 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.07 -43.0 96.77 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.496 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.03 -46.66 83.43 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 119.278 0.944 . . . . 0.0 109.933 176.887 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -57.0 -34.61 68.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.595 1.558 . . . . 0.0 111.503 177.47 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -66.96 -49.34 65.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.151 0.981 . . . . 0.0 108.715 178.034 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -63.36 -37.58 87.82 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.652 -0.655 . . . . 0.0 111.442 177.118 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.25 -51.64 62.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.73 1.212 . . . . 0.0 110.272 176.986 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.86 74.85 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.128 0.876 . . . . 0.0 110.204 177.626 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.7 m -62.14 -38.83 90.45 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.528 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.63 -40.92 80.12 Favored 'General case' 0 CA--C 1.553 1.062 0 O-C-N 121.042 -1.036 . . . . 0.0 109.551 177.899 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -61.09 -50.88 71.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.497 1.519 . . . . 0.0 111.272 178.695 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.04 -15.79 71.48 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 -177.098 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -139.34 -53.72 0.56 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.363 -1.669 . . . . 0.0 112.463 -176.637 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.138 0 C-N-CA 125.221 1.391 . . . . 0.0 116.221 -177.494 . . . . . . . . 0 0 . 1 . 098 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 . . . . . . . . . 0 0 . 1 . 098 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -47.32 -63.17 1.12 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.342 1.457 . . . . 0.0 114.165 -179.935 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -63.43 -41.75 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.363 0.529 . . . . 0.0 111.55 -178.89 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.16 -46.66 89.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.876 1.271 . . . . 0.0 112.489 -178.299 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.06 -51.08 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 117.951 -1.024 . . . . 0.0 111.132 177.466 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.66 -50.79 71.03 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 111.977 178.415 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.3 -48.01 65.97 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.91 0.767 . . . . 0.0 112.416 177.587 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.13 -44.5 95.41 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 117.76 0.78 . . . . 0.0 111.29 177.088 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.85 -50.8 71.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.42 0.688 . . . . 0.0 110.807 177.482 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -62.5 -34.91 77.82 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.517 177.318 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.89 -49.22 68.83 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.421 1.009 . . . . 0.0 110.918 177.496 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -62.5 -38.3 89.37 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.891 -1.131 . . . . 0.0 110.423 176.505 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.24 -39.52 86.99 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.979 -1.076 . . . . 0.0 110.4 175.897 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.29 -37.47 87.62 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.91 1.284 . . . . 0.0 109.508 178.814 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -63.99 -45.63 88.16 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 176.618 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.32 -37.86 73.18 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.625 0.77 . . . . 0.0 109.667 177.438 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -63.82 -39.18 93.62 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.754 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.8 m -65.04 -42.53 94.22 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.626 0.771 . . . . 0.0 110.233 177.169 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -64.02 -41.65 97.37 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 121.043 -1.036 . . . . 0.0 111.756 176.74 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.47 -50.4 69.86 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.419 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.11 72.65 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.311 1.044 . . . . 0.0 111.36 176.788 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.3 m -60.45 -40.77 92.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.035 1.334 . . . . 0.0 109.998 176.144 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -68.95 -53.81 18.8 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.362 0.665 . . . . 0.0 111.607 176.592 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -61.21 -44.63 96.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.712 -1.242 . . . . 0.0 113.063 -178.413 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.51 -10.92 67.1 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.397 1.475 . . . . 0.0 116.629 -177.451 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -144.16 -40.97 0.27 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.78 1.79 . . . . 0.0 114.013 178.355 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.206 0 C-N-CA 123.506 0.574 . . . . 0.0 114.415 178.93 . . . . . . . . 0 0 . 1 . 099 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 . . . . . . . . . 0 0 . 1 . 099 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -41.48 -70.53 0.1 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 129.703 3.201 . . . . 0.0 115.449 -176.543 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.7 p -75.74 -21.97 56.97 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 177.752 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -68.97 -44.88 72.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.66 0.784 . . . . 0.0 110.771 178.02 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.26 -50.72 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 117.523 -1.227 . . . . 0.0 110.042 177.496 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.52 -47.64 78.93 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.003 0.82 . . . . 0.0 111.228 177.439 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.08 -51.52 49.67 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 124.151 0.882 . . . . 0.0 111.364 177.131 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.02 -45.1 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.846 177.208 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.98 -54.87 37.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.191 0.996 . . . . 0.0 111.396 177.929 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.0 m -63.86 -39.47 94.27 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.564 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -67.67 -48.23 67.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.137 0.88 . . . . 0.0 112.917 178.635 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.79 -42.07 99.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.402 1.001 . . . . 0.0 110.683 177.049 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -62.13 -44.49 96.52 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.77 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.41 -40.52 96.78 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.706 -1.247 . . . . 0.0 110.18 179.975 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -59.18 -48.32 82.06 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.888 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.26 -44.19 92.42 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.88 177.154 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -58.59 -42.32 87.8 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.169 0.988 . . . . 0.0 110.273 176.432 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -67.84 -37.72 82.26 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.862 0.865 . . . . 0.0 109.103 -176.994 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -67.74 -43.74 79.2 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.812 -1.18 . . . . 0.0 107.922 177.727 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.02 -42.4 94.26 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.276 1.43 . . . . 0.0 111.311 177.575 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -43.56 78.67 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.622 1.101 . . . . 0.0 110.612 177.733 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -66.97 -39.24 87.16 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.907 0.883 . . . . 0.0 110.25 177.404 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.35 -49.19 76.56 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.153 0.981 . . . . 0.0 110.722 177.587 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -69.36 -38.97 78.32 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.711 -0.618 . . . . 0.0 111.121 -179.227 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.9 -27.4 50.36 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 116.521 1.369 . . . . 0.0 116.521 -177.427 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 m -135.72 -39.01 0.72 Allowed 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.189 1.495 . . . . 0.0 113.904 -178.401 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.383 0 N-CA-C 117.054 1.581 . . . . 0.0 117.054 -177.793 . . . . . . . . 0 0 . 1 . 100 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 100 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -41.16 -68.25 0.2 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.137 2.175 . . . . 0.0 116.114 -177.461 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.253 24.9 p -73.52 -19.24 60.96 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.157 1.344 . . . . 0.0 113.328 -179.539 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.76 -43.08 69.55 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.323 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.06 -51.95 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.314 1.445 . . . . 0.0 108.591 177.079 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 mt -56.22 -45.61 79.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.486 1.039 . . . . 0.0 112.793 177.704 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.3 -47.69 88.1 Favored Glycine 0 N--CA 1.472 1.054 0 CA-C-N 119.347 0.976 . . . . 0.0 112.382 177.443 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.66 -44.21 87.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.04 -0.682 . . . . 0.0 110.131 177.518 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.5 -44.28 84.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.27 1.428 . . . . 0.0 109.459 177.027 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.7 m -60.98 -39.67 90.5 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 117.439 -1.267 . . . . 0.0 109.352 179.805 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.06 -48.48 73.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.077 1.308 . . . . 0.0 109.718 176.899 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -65.31 -37.28 86.65 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.556 -1.34 . . . . 0.0 109.874 -179.364 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.04 -42.11 85.39 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 124.604 1.162 . . . . 0.0 108.366 177.534 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -63.52 -36.83 85.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.977 1.311 . . . . 0.0 109.438 177.444 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -65.19 -50.33 66.34 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.146 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -56.67 -46.17 81.27 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.817 1.247 . . . . 0.0 111.045 177.026 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.53 -44.14 97.08 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.083 -0.96 . . . . 0.0 109.484 177.276 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 m -66.09 -38.01 87.18 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.717 1.207 . . . . 0.0 110.425 178.408 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.517 1.053 . . . . 0.0 108.182 178.421 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 mt -58.26 -54.52 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.188 1.395 . . . . 0.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.75 -46.68 70.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.606 1.162 . . . . 0.0 111.571 178.53 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -64.35 -37.11 86.36 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.337 -1.477 . . . . 0.0 111.129 177.671 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -64.07 -45.75 87.39 Favored 'General case' 0 C--O 1.242 0.671 0 O-C-N 120.377 -1.452 . . . . 0.0 110.931 176.26 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -66.47 -44.47 82.65 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.122 -1.611 . . . . 0.0 114.422 176.916 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.74 -25.41 38.52 Favored Glycine 0 CA--C 1.542 1.726 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 -177.67 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -125.72 -47.6 1.68 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.345 1.073 . . . . 0.0 112.147 -179.274 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.089 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 -176.827 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -66.56 -38.44 87.08 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -152.43 174.36 13.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.198 0.999 . . . . 0.0 110.863 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -58.21 -41.96 85.2 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.69 -49.7 76.72 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 125.127 1.371 . . . . 0.0 112.132 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.8 p -65.56 -32.5 74.12 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.223 -0.923 . . . . 0.0 111.278 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -44.73 86.35 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.927 0.785 . . . . 0.0 109.047 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.02 -47.29 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.898 0.879 . . . . 0.0 109.151 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.12 -36.49 68.27 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.313 1.045 . . . . 0.0 112.275 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.51 57.68 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 125.561 1.553 . . . . 0.0 109.924 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.83 -48.09 82.54 Favored 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.882 -1.364 . . . . 0.0 109.325 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.42 -34.17 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.022 0.828 . . . . 0.0 111.343 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 m -61.63 -40.97 96.75 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 120.612 -1.305 . . . . 0.0 109.546 175.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -70.61 -39.87 73.5 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.71 -39.17 93.19 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 120.475 1.489 . . . . 0.0 108.555 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.43 -43.85 84.55 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.511 1.524 . . . . 0.0 106.916 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -59.71 -45.25 92.71 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -56.86 -48.14 78.79 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.68 1.127 . . . . 0.0 111.38 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.328 2.7 pp -63.51 -35.51 80.7 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.09 1.314 . . . . 0.0 111.813 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.59 -43.96 88.09 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.924 -1.11 . . . . 0.0 108.984 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.8 m -59.29 -45.16 92.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.77 1.628 . . . . 0.0 109.539 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.21 -49.58 76.58 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.846 0.859 . . . . 0.0 111.04 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 mt -57.88 -51.69 68.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.801 0.841 . . . . 0.0 111.245 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.31 94.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 112.82 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 m -65.27 -45.85 82.85 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.033 -1.042 . . . . 0.0 110.764 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.61 -39.1 93.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.816 0.846 . . . . 0.0 112.379 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -74.48 -44.24 52.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.673 0.789 . . . . 0.0 111.762 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.14 -28.28 60.59 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 115.786 1.075 . . . . 0.0 115.786 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -148.52 -36.58 0.19 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.21 -19.62 59.68 Favored Glycine 0 CA--C 1.548 2.096 0 N-CA-C 116.621 1.408 . . . . 0.0 116.621 -176.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.46 ' H ' ' HD2' ' A' ' 32' ' ' PRO . 33.1 p -119.0 -42.48 0.05 OUTLIER Pre-proline 0 CA--C 1.554 1.13 0 CA-C-O 116.928 -1.51 . . . . 0.0 113.853 176.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HD2' ' H ' ' A' ' 31' ' ' THR . 43.3 Cg_endo -84.38 -2.98 10.08 Favored 'Trans proline' 0 CA--C 1.562 1.913 0 CA-C-N 122.627 1.974 . . . . 0.0 112.574 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.211 0 O-C-N 119.695 -1.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 118.722 -0.656 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 p -70.89 -33.83 70.97 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -156.73 175.68 13.74 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.688 1.195 . . . . 0.0 111.793 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.0 tp -52.6 -52.55 54.79 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.987 1.315 . . . . 0.0 112.158 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -60.08 -43.17 95.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.761 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -65.46 -30.03 70.76 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.543 1.519 . . . . 0.0 111.755 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.95 -41.71 77.67 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.32 -42.62 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -64.79 -29.09 70.05 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.032 0.933 . . . . 0.0 109.256 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -50.17 26.28 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.31 -48.07 79.9 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.273 1.037 . . . . 0.0 109.357 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -58.59 -43.28 89.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.684 1.194 . . . . 0.0 110.524 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.2 m -61.15 -41.61 97.05 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 118.86 -0.59 . . . . 0.0 110.567 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.47 -40.41 81.02 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 118.625 -0.702 . . . . 0.0 110.515 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.13 -37.6 87.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 119.38 0.991 . . . . 0.0 109.323 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 tp -66.67 -41.25 88.43 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 124.721 1.209 . . . . 0.0 109.277 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -62.34 -47.37 84.51 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.058 0.943 . . . . 0.0 110.14 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -54.21 -48.33 71.14 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.63 1.105 . . . . 0.0 110.898 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.29 4.3 pp -67.7 -34.63 77.27 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 118.654 -0.688 . . . . 0.0 111.637 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.43 -38.08 89.77 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.942 1.246 . . . . 0.0 108.996 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 m -64.14 -44.69 91.4 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -57.98 -41.96 84.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 117.513 -1.232 . . . . 0.0 111.238 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.96 -43.9 97.88 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 110.637 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.03 -48.5 81.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.671 0.788 . . . . 0.0 111.459 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -61.65 -44.98 95.96 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.518 -1.364 . . . . 0.0 110.723 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -63.29 -42.43 99.06 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.089 0.955 . . . . 0.0 112.775 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -74.49 -35.1 63.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.191 0.996 . . . . 0.0 112.83 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.11 -27.55 30.73 Favored Glycine 0 CA--C 1.533 1.209 0 N-CA-C 115.976 1.15 . . . . 0.0 115.976 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.4 p -144.77 -34.0 0.37 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.56 -28.46 67.69 Favored Glycine 0 CA--C 1.539 1.565 0 CA-C-O 118.098 -1.39 . . . . 0.0 112.546 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.7 p -113.06 -43.57 0.08 OUTLIER Pre-proline 0 CA--C 1.566 1.569 0 C-N-CA 125.237 1.415 . . . . 0.0 111.931 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -77.54 11.14 2.26 Favored 'Trans proline' 0 CA--C 1.565 2.05 0 C-N-CA 123.897 3.064 . . . . 0.0 114.561 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 119.924 1.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.7 p . . . . . 0 N--CA 1.484 1.238 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -69.63 -29.65 67.19 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -156.73 179.71 9.02 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.866 1.266 . . . . 0.0 110.861 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.81 -49.92 71.91 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.777 0.831 . . . . 0.0 111.989 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -60.06 -44.2 94.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.215 1.806 . . . . 0.0 112.828 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -66.04 -25.58 67.11 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.008 1.276 . . . . 0.0 110.66 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -34.31 74.68 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 119.932 1.242 . . . . 0.0 107.938 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.5 t -70.15 -40.5 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.386 -1.446 . . . . 0.0 107.498 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.65 -36.42 76.37 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.3 -40.76 91.96 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 127.111 2.291 . . . . 0.0 109.48 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.85 -51.93 65.09 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.426 1.613 . . . . 0.0 107.216 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.42 -38.98 72.3 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.994 0.815 . . . . 0.0 111.165 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -67.41 -35.11 78.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.616 1.167 . . . . 0.0 110.048 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -71.18 -40.96 70.94 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.93 -35.3 80.71 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 120.132 1.333 . . . . 0.0 107.84 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -65.56 -45.0 85.03 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -60.99 -40.7 94.48 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.588 1.155 . . . . 0.0 109.341 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -62.55 -50.17 72.38 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.811 -1.181 . . . . 0.0 109.141 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.341 2.3 pp -63.73 -31.93 73.25 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.313 0.96 . . . . 0.0 110.935 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -67.27 -41.15 85.99 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.8 m -68.43 -40.36 81.22 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.07 0.85 . . . . 0.0 109.527 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -57.22 -51.19 70.33 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.1 -52.34 65.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.575 1.15 . . . . 0.0 112.171 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.19 94.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.158 1.383 . . . . 0.0 113.294 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.8 m -62.79 -44.8 95.22 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.318 1.047 . . . . 0.0 109.655 177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -63.21 -55.09 27.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.241 1.416 . . . . 0.0 111.386 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.7 p -66.0 -30.19 70.69 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.552 1.069 . . . . 0.0 111.72 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.69 -23.53 55.75 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 118.643 -1.087 . . . . 0.0 114.314 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -161.18 -43.34 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.03 -43.18 8.51 Favored Glycine 0 N--CA 1.475 1.27 0 C-N-CA 125.797 1.665 . . . . 0.0 117.114 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.21 -47.01 0.18 Allowed Pre-proline 0 N--CA 1.48 1.047 0 CA-C-O 116.558 -1.686 . . . . 0.0 113.49 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -58.12 -24.01 64.24 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.956 2.437 . . . . 0.0 114.72 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.15 0 CA-C-N 120.098 1.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 117.662 -1.161 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.2 p -85.59 -29.48 24.08 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -158.36 179.18 9.38 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.36 1.464 . . . . 0.0 111.237 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.1 tp -49.95 -57.89 6.58 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.096 1.359 . . . . 0.0 112.931 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 m -59.47 -44.6 92.99 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.884 0.874 . . . . 0.0 112.477 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.3 p -66.8 -26.62 67.03 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.61 1.095 . . . . 0.0 110.779 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -35.78 67.94 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.456 1.026 . . . . 0.0 108.433 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.56 -40.13 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.95 -30.71 71.77 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.34 -47.33 80.69 Favored Glycine 0 C--N 1.346 1.126 0 C-N-CA 125.403 1.478 . . . . 0.0 109.994 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.12 -48.03 83.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.911 0.885 . . . . 0.0 108.725 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.26 -39.3 82.41 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.712 0.805 . . . . 0.0 110.806 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 m -64.68 -39.02 92.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.537 0.735 . . . . 0.0 109.235 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.87 -40.66 83.58 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.189 177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.85 -36.41 83.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.172 1.351 . . . . 0.0 109.437 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.05 -43.0 79.66 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -64.86 -34.37 78.22 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.498 -0.751 . . . . 0.0 110.474 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.3 -50.43 70.11 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.229 -1.544 . . . . 0.0 107.455 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 2.6 pp -64.25 -35.35 80.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.179 0.9 . . . . 0.0 111.321 177.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.24 -35.08 79.67 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.871 1.214 . . . . 0.0 108.993 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 m -66.27 -47.02 75.05 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -60.36 -39.98 89.12 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 111.393 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -64.48 -40.71 96.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.13 0.972 . . . . 0.0 110.021 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.34 94.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.009 0.924 . . . . 0.0 109.135 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.0 m -62.2 -48.64 79.1 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.512 -0.742 . . . . 0.0 109.804 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.45 -39.72 80.63 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.042 1.337 . . . . 0.0 112.794 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.6 p -78.56 -43.07 27.51 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.33 -27.52 48.09 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.1 p -145.34 -27.21 0.46 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.5 -55.53 14.79 Favored Glycine 0 CA--C 1.536 1.366 0 CA-C-N 119.655 1.116 . . . . 0.0 114.177 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.6 p -75.44 -39.46 3.07 Favored Pre-proline 0 N--CA 1.48 1.039 0 CA-C-O 116.622 -1.656 . . . . 0.0 114.75 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -63.84 -14.54 43.69 Favored 'Trans proline' 0 CA--C 1.552 1.418 0 C-N-CA 123.053 2.502 . . . . 0.0 116.115 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.237 0 CA-C-N 120.307 1.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 117.51 -1.233 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -86.03 -38.97 17.31 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -146.42 174.45 11.37 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.326 1.45 . . . . 0.0 109.928 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.69 -45.42 85.68 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.104 -0.997 . . . . 0.0 112.586 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -60.72 -47.34 86.71 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.615 1.166 . . . . 0.0 111.251 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.6 p -67.09 -27.91 67.74 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.562 1.528 . . . . 0.0 110.196 177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -38.83 74.6 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.28 -40.53 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.51 -36.86 81.7 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.651 1.569 . . . . 0.0 108.655 176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.4 92.14 Favored Glycine 0 CA--C 1.547 2.038 0 N-CA-C 108.069 -2.012 . . . . 0.0 108.069 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -63.08 -42.16 99.58 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 118.969 1.385 . . . . 0.0 108.858 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.29 -33.34 75.6 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 120.012 1.278 . . . . 0.0 109.228 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.5 m -69.74 -36.44 75.85 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.09 -38.58 79.06 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.177 1.391 . . . . 0.0 108.451 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.68 -35.97 81.4 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.993 1.27 . . . . 0.0 108.931 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 tp -67.3 -45.2 77.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.9 1.28 . . . . 0.0 108.351 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -65.29 -39.28 92.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.188 0.995 . . . . 0.0 110.886 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -59.23 -56.05 27.04 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.091 1.756 . . . . 0.0 108.366 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.308 3.6 pp -60.64 -37.13 80.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.92 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.95 -32.85 74.37 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.112 1.323 . . . . 0.0 108.685 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -70.33 -42.17 72.25 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.462 1.505 . . . . 0.0 108.172 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -64.18 -40.99 97.28 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.446 -0.783 . . . . 0.0 109.002 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.84 -43.03 99.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.647 1.179 . . . . 0.0 109.623 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.18 86.21 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 119.236 0.925 . . . . 0.0 110.68 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.6 m -67.37 -39.07 85.64 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.848 0.859 . . . . 0.0 109.276 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -43.49 81.37 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.048 1.739 . . . . 0.0 113.094 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.5 p -73.37 -35.14 65.9 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.71 1.141 . . . . 0.0 111.237 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.85 -33.91 35.88 Favored Glycine 0 CA--C 1.532 1.131 0 O-C-N 120.8 -1.187 . . . . 0.0 115.523 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.4 p -145.06 -40.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.13 -40.14 28.24 Favored Glycine 0 N--CA 1.482 1.725 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.1 p -103.44 -42.14 0.19 Allowed Pre-proline 0 N--CA 1.475 0.823 0 CA-C-O 117.018 -1.468 . . . . 0.0 114.412 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -79.23 2.94 7.89 Favored 'Trans proline' 0 CA--C 1.561 1.833 0 CA-C-N 123.259 2.2 . . . . 0.0 114.899 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.457 0 CA-C-N 120.844 1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 117.979 -1.01 . . . . 0.0 108.558 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -107.11 -44.41 4.38 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -136.48 176.3 8.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.105 1.362 . . . . 0.0 108.601 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.4 tp -59.22 -44.24 92.31 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.238 -0.914 . . . . 0.0 111.753 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -56.06 -51.45 67.79 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.037 1.335 . . . . 0.0 112.113 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -65.86 -30.01 70.55 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.599 1.09 . . . . 0.0 110.879 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -39.12 75.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.165 0.893 . . . . 0.0 110.394 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.56 -53.74 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.038 1.335 . . . . 0.0 107.784 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.4 -35.25 69.79 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.352 0.978 . . . . 0.0 110.95 177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -48.47 70.65 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.834 1.683 . . . . 0.0 109.455 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.82 -41.18 97.92 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.295 1.048 . . . . 0.0 110.165 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.42 -42.07 98.16 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.371 0.987 . . . . 0.0 108.349 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -65.01 -35.26 80.62 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.925 1.29 . . . . 0.0 111.017 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.81 -50.97 53.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.078 1.351 . . . . 0.0 108.481 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.44 -32.94 74.53 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.525 1.057 . . . . 0.0 110.169 177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.17 -42.56 93.56 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.418 1.087 . . . . 0.0 108.151 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -66.09 -39.4 89.97 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.159 -0.963 . . . . 0.0 109.834 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.78 -52.52 62.88 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.689 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -61.23 -35.82 78.26 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.408 1.458 . . . . 0.0 111.172 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -64.17 -35.43 80.77 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 120.23 1.377 . . . . 0.0 109.076 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.04 -41.68 73.91 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.441 1.496 . . . . 0.0 110.209 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.2 -43.64 97.59 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.84 -41.02 99.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.462 1.105 . . . . 0.0 108.096 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.651 1.18 . . . . 0.0 108.971 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -68.81 -45.11 72.09 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.635 0.774 . . . . 0.0 108.988 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.28 -38.36 83.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.814 1.246 . . . . 0.0 112.415 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 p -82.46 -29.45 30.61 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.105 0.962 . . . . 0.0 113.447 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.22 -40.62 10.05 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 119.626 1.103 . . . . 0.0 114.75 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 89.6 p -132.44 -37.3 1.08 Allowed 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.59 -38.69 64.1 Favored Glycine 0 N--CA 1.469 0.856 0 N-CA-C 116.704 1.441 . . . . 0.0 116.704 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.7 p -106.77 -38.51 0.17 Allowed Pre-proline 0 N--CA 1.473 0.687 0 CA-C-O 116.037 -1.935 . . . . 0.0 116.214 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -73.61 -3.32 13.53 Favored 'Trans proline' 0 CA--C 1.559 1.76 0 C-N-CA 123.832 3.021 . . . . 0.0 116.445 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.037 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 p -62.9 -34.97 78.52 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -156.83 174.65 15.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.036 1.334 . . . . 0.0 110.456 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.46 -48.75 78.33 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.856 -1.153 . . . . 0.0 112.056 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -49.33 73.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.793 1.237 . . . . 0.0 111.396 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -65.6 -29.24 69.81 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.679 1.127 . . . . 0.0 110.892 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -45.33 78.2 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.14 -38.47 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.6 tp -62.68 -35.66 80.4 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 118.964 0.802 . . . . 0.0 109.15 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.49 67.34 Favored Glycine 0 N--CA 1.466 0.653 0 C-N-CA 125.059 1.314 . . . . 0.0 109.964 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.64 -46.83 87.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.945 1.698 . . . . 0.0 108.618 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -41.92 98.06 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.045 1.338 . . . . 0.0 109.705 176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.6 m -62.0 -34.07 75.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.941 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -69.66 -40.74 76.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.213 0.915 . . . . 0.0 109.472 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -64.84 -37.07 86.38 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.617 1.099 . . . . 0.0 108.215 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.6 tp -64.83 -42.98 94.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.689 1.196 . . . . 0.0 109.477 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -61.08 -41.06 95.93 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.704 1.602 . . . . 0.0 110.0 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -61.4 -55.12 34.96 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.221 1.008 . . . . 0.0 109.174 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.31 3.3 pp -63.95 -30.99 72.03 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -64.94 -38.72 91.91 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.809 1.186 . . . . 0.0 108.913 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -63.08 -45.19 93.31 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.533 1.133 . . . . 0.0 109.779 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -62.69 -42.62 99.73 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.624 -0.672 . . . . 0.0 110.436 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.86 -46.49 89.13 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.633 1.173 . . . . 0.0 110.485 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.52 93.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.083 0.953 . . . . 0.0 111.466 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 m -64.25 -42.18 96.62 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.535 -0.728 . . . . 0.0 109.767 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.13 -43.44 98.38 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.389 -0.82 . . . . 0.0 112.821 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -78.01 -16.56 57.99 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.557 1.072 . . . . 0.0 113.814 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.85 -46.78 4.71 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.334 1.445 . . . . 0.0 113.925 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.3 p -131.54 -30.23 1.69 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.17 -64.76 4.1 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.226 0.917 . . . . 0.0 114.792 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.4 p -75.39 -40.39 3.43 Favored Pre-proline 0 N--CA 1.472 0.66 0 CA-C-O 116.512 -1.708 . . . . 0.0 115.409 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -73.19 -7.73 20.98 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 CA-C-N 122.863 2.058 . . . . 0.0 115.019 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 119.862 1.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -78.29 -30.32 48.36 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -158.85 178.47 10.06 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.826 1.25 . . . . 0.0 111.51 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.2 tp -53.09 -56.68 14.35 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.466 1.106 . . . . 0.0 111.865 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -58.28 -44.24 88.38 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.584 1.153 . . . . 0.0 113.014 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.3 p -65.39 -35.17 80.13 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.26 0.936 . . . . 0.0 110.061 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -35.49 76.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.751 -1.218 . . . . 0.0 109.936 177.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.24 -46.65 90.1 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.7 tp -60.2 -37.34 79.97 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.009 0.924 . . . . 0.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -45.13 88.82 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 108.76 -1.736 . . . . 0.0 108.76 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.35 -42.26 98.91 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.228 1.514 . . . . 0.0 110.554 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.08 -45.03 94.27 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.183 0.993 . . . . 0.0 108.495 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 m -63.07 -37.59 87.81 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.46 1.104 . . . . 0.0 111.406 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.64 -45.01 65.96 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 117.604 -1.189 . . . . 0.0 110.951 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -61.08 -37.52 82.97 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 121.437 1.926 . . . . 0.0 108.795 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.84 -49.72 71.72 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.58 -39.56 84.52 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.085 -1.635 . . . . 0.0 111.076 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.79 -54.05 47.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.764 0.826 . . . . 0.0 110.002 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.1 pp -64.5 -33.7 76.51 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.59 1.086 . . . . 0.0 113.02 177.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -61.68 -38.39 87.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.726 0.81 . . . . 0.0 110.57 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -52.91 -51.76 60.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.745 1.218 . . . . 0.0 111.441 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -66.89 -37.87 85.2 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.53 -35.38 80.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.758 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.2 98.16 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 123.735 0.814 . . . . 0.0 108.871 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -66.01 -43.69 86.95 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.137 -0.977 . . . . 0.0 108.552 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -56.12 -68.94 0.16 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.398 -1.439 . . . . 0.0 112.25 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -75.37 -3.62 34.65 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 117.917 -1.04 . . . . 0.0 113.567 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.16 -23.51 14.61 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.565 1.079 . . . . 0.0 113.224 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -160.2 -41.09 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.51 -55.41 7.99 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 127.091 2.282 . . . . 0.0 116.306 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.25 -43.94 0.35 Allowed Pre-proline 0 N--CA 1.469 0.5 0 CA-C-O 116.68 -1.629 . . . . 0.0 112.729 176.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.28 -11.07 30.84 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 123.416 2.744 . . . . 0.0 113.832 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.328 0 O-C-N 118.272 -2.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 p -71.67 -28.78 63.96 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -162.27 178.03 9.08 Favored 'General case' 0 CA--C 1.549 0.941 0 O-C-N 120.209 -1.557 . . . . 0.0 110.291 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.15 -54.13 40.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.527 1.531 . . . . 0.0 111.845 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -59.57 -47.22 86.41 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.763 1.225 . . . . 0.0 112.895 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -63.56 -32.21 73.61 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.668 1.122 . . . . 0.0 111.601 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -46.29 81.07 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.3 -46.97 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.735 -0.603 . . . . 0.0 111.41 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.79 -39.88 82.39 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.578 1.151 . . . . 0.0 108.884 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.18 -48.84 29.66 Favored Glycine 0 CA--C 1.555 2.557 0 N-CA-C 108.23 -1.948 . . . . 0.0 108.23 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -61.11 -44.21 97.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.62 1.21 . . . . 0.0 110.709 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.84 -39.34 93.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.654 1.116 . . . . 0.0 108.986 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -62.31 -36.75 83.14 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 119.865 1.212 . . . . 0.0 108.975 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -66.88 -44.52 80.67 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.31 -39.79 94.18 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 120.688 -1.257 . . . . 0.0 108.397 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.51 -41.53 98.52 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -62.61 -35.52 79.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.673 1.189 . . . . 0.0 109.212 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.69 -54.05 50.02 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 121.104 -0.998 . . . . 0.0 109.66 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.257 4.4 pp -68.03 -32.42 72.77 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.198 177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -61.47 -38.4 87.12 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 120.15 1.341 . . . . 0.0 110.21 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -61.75 -48.07 82.38 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.246 0.619 . . . . 0.0 109.431 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.93 -37.59 87.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.79 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.0 mt -64.3 -41.32 96.91 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.5 96.02 Favored 'General case' 0 C--N 1.361 1.072 0 CA-C-N 119.599 1.09 . . . . 0.0 110.338 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.7 m -66.15 -45.13 82.05 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -55.3 -58.05 9.31 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 127.313 2.245 . . . . 0.0 113.525 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 p -78.03 -27.1 48.72 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.16 -25.03 41.74 Favored Glycine 0 CA--C 1.548 2.095 0 CA-C-O 118.796 -1.002 . . . . 0.0 115.101 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -145.84 -36.99 0.26 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.87 -23.28 69.16 Favored Glycine 0 N--CA 1.478 1.443 0 CA-C-O 117.571 -1.683 . . . . 0.0 115.421 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -108.66 -43.37 0.11 Allowed Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 115.762 -2.066 . . . . 0.0 113.814 178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -64.69 -27.32 60.53 Favored 'Trans proline' 0 C--N 1.355 0.92 0 CA-C-N 123.764 2.38 . . . . 0.0 113.435 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.736 0 CA-C-N 120.839 1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -80.78 -31.46 35.79 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -160.28 178.66 9.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.169 1.387 . . . . 0.0 111.313 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.3 tp -49.24 -56.96 7.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.875 1.27 . . . . 0.0 112.401 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -58.29 -47.66 82.93 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.101 1.36 . . . . 0.0 112.331 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 p -65.01 -35.06 79.98 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 119.343 0.974 . . . . 0.0 110.024 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -38.37 79.24 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -63.12 -50.09 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.2 mt -55.98 -37.83 69.59 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.474 1.11 . . . . 0.0 111.259 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -49.03 64.46 Favored Glycine 0 CA--C 1.543 1.827 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.61 -40.48 97.08 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.595 -0.944 . . . . 0.0 110.421 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.38 -40.17 93.38 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.304 -0.873 . . . . 0.0 108.932 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 m -61.81 -37.5 84.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.624 0.769 . . . . 0.0 110.429 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -70.13 -46.45 64.72 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.309 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -61.31 -36.58 80.49 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 119.634 1.106 . . . . 0.0 110.989 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.23 -44.98 90.19 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.876 1.271 . . . . 0.0 108.715 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -58.74 -36.32 74.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.232 1.013 . . . . 0.0 111.795 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -58.9 -53.18 61.25 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.139 -1.601 . . . . 0.0 109.376 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.333 3.2 pp -67.09 -30.08 70.01 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -65.48 -39.1 91.54 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 119.621 -1.924 . . . . 0.0 107.765 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -65.35 -48.11 74.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.143 1.377 . . . . 0.0 109.173 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -61.15 -36.29 79.37 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.124 -0.985 . . . . 0.0 111.225 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.56 -38.56 91.43 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 119.348 0.976 . . . . 0.0 110.66 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -42.68 94.78 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 m -62.01 -48.85 78.48 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.193 -0.942 . . . . 0.0 109.547 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -56.7 -43.7 80.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.348 1.459 . . . . 0.0 113.708 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -78.36 -34.31 48.44 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.798 1.239 . . . . 0.0 113.574 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.58 -24.41 28.38 Favored Glycine 0 CA--C 1.546 2.023 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -146.4 -33.51 0.31 Allowed 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.664 1.732 . . . . 0.0 115.472 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.94 -20.87 62.84 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-O 118.602 -1.11 . . . . 0.0 115.183 -177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.8 p -117.49 -39.63 0.06 OUTLIER Pre-proline 0 CA--C 1.547 0.856 0 CA-C-O 116.42 -1.753 . . . . 0.0 113.714 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -61.96 -12.2 24.9 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 123.193 2.595 . . . . 0.0 116.625 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 O-C-N 120.215 -1.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 p -73.09 -33.2 65.47 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -155.0 177.36 11.41 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.667 1.187 . . . . 0.0 111.208 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -54.33 -51.61 64.16 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.692 1.197 . . . . 0.0 112.278 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -58.14 -48.82 79.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.366 1.066 . . . . 0.0 112.265 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -65.56 -31.92 73.23 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.681 -1.262 . . . . 0.0 111.656 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -42.31 81.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 119.262 0.937 . . . . 0.0 108.667 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -64.61 -43.22 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 116.955 -1.498 . . . . 0.0 108.455 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.15 -36.94 76.15 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.581 1.537 . . . . 0.0 110.757 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.52 -47.39 84.46 Favored Glycine 0 C--N 1.346 1.101 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -63.36 -42.26 98.88 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.67 0.788 . . . . 0.0 110.002 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.46 -37.83 88.8 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.182 0.901 . . . . 0.0 108.801 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -66.06 -36.19 82.55 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.422 1.089 . . . . 0.0 110.079 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.38 -50.88 62.02 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.154 0.982 . . . . 0.0 108.429 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.71 -37.39 81.52 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.047 -1.033 . . . . 0.0 110.553 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.88 -44.94 88.03 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -59.49 -37.52 78.46 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.326 1.05 . . . . 0.0 110.413 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -63.21 -54.37 38.53 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.944 -1.097 . . . . 0.0 108.115 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.348 4.1 pp -64.14 -30.45 71.51 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 118.249 -0.881 . . . . 0.0 112.748 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -64.16 -40.78 96.86 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.815 1.189 . . . . 0.0 107.994 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -63.23 -43.68 97.39 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.15 1.38 . . . . 0.0 109.524 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -65.9 -38.77 89.6 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.541 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.9 -38.04 85.51 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 120.217 1.371 . . . . 0.0 109.321 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -39.71 89.06 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -63.42 -45.12 92.45 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.096 0.958 . . . . 0.0 109.234 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.53 -43.03 99.61 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.296 1.438 . . . . 0.0 112.749 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -77.93 -36.45 49.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.863 0.865 . . . . 0.0 112.709 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.34 52.04 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 117.157 1.623 . . . . 0.0 117.157 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.0 p -145.84 -42.08 0.21 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.48 -46.3 92.11 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.595 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.8 p -89.32 -43.69 0.43 Allowed Pre-proline 0 N--CA 1.481 1.089 0 CA-C-O 115.557 -2.163 . . . . 0.0 113.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -67.01 -3.98 10.66 Favored 'Trans proline' 0 CA--C 1.551 1.361 0 C-N-CA 123.397 2.731 . . . . 0.0 114.178 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.033 0 CA-C-N 120.815 1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -83.29 -38.31 22.31 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -177.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -154.45 179.92 8.56 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.129 1.331 . . . . 0.0 111.506 177.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.6 tp -50.55 -58.15 6.46 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.715 1.606 . . . . 0.0 111.344 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -57.15 -48.42 78.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.362 1.465 . . . . 0.0 113.015 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -64.93 -34.98 79.71 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 120.099 1.318 . . . . 0.0 111.955 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -44.07 80.49 Favored 'General case' 0 CA--C 1.551 1.012 0 O-C-N 121.236 -0.915 . . . . 0.0 109.356 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.48 -51.8 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.902 1.281 . . . . 0.0 109.881 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.53 -36.16 71.23 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.239 1.015 . . . . 0.0 110.614 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.28 67.12 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -61.34 -47.95 83.53 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 117.642 0.721 . . . . 0.0 110.265 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -57.98 -40.67 81.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.846 0.858 . . . . 0.0 110.721 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.2 m -62.35 -40.69 97.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.348 177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -66.78 -41.44 87.68 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.382 0.992 . . . . 0.0 110.072 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.09 -39.05 91.14 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.302 -0.874 . . . . 0.0 109.351 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.27 -39.54 86.06 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -60.2 -32.25 70.91 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.789 1.235 . . . . 0.0 110.271 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.81 -57.26 11.52 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.299 1.0 OUTLIER -65.64 -30.64 71.38 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.803 0.729 . . . . 0.0 110.657 179.804 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -65.09 -38.81 91.93 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.9 m -65.93 -44.39 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.074 1.35 . . . . 0.0 108.348 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -61.17 -41.34 96.6 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 119.093 0.861 . . . . 0.0 109.012 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.56 -34.65 78.74 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.518 1.127 . . . . 0.0 109.754 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.08 90.15 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 124.659 1.183 . . . . 0.0 108.27 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -62.33 -48.23 80.74 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -61.55 -36.9 81.92 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.0 p -86.38 -28.39 23.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.752 -1.217 . . . . 0.0 113.941 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -12.56 52.13 Favored Glycine 0 CA--C 1.544 1.863 0 N-CA-C 116.933 1.533 . . . . 0.0 116.933 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.3 p -149.56 -42.26 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.19 -44.72 88.89 Favored Glycine 0 C--N 1.342 0.895 0 C-N-CA 124.203 0.906 . . . . 0.0 115.062 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.301 8.9 p -95.83 -55.29 0.21 Allowed Pre-proline 0 N--CA 1.473 0.716 0 CA-C-O 116.045 -1.931 . . . . 0.0 114.816 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -65.32 -11.32 29.66 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 CA-C-N 123.893 2.426 . . . . 0.0 116.779 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 120.515 -1.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p -68.78 -31.65 70.82 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -159.6 177.88 10.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.55 1.54 . . . . 0.0 110.923 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.39 -45.97 80.35 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.4 -0.812 . . . . 0.0 112.869 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -57.17 -51.92 67.38 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.619 -0.705 . . . . 0.0 112.288 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -62.3 -30.27 71.02 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.101 1.318 . . . . 0.0 112.441 176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -46.77 72.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.491 0.587 . . . . 0.0 110.575 176.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.86 -50.22 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.676 1.19 . . . . 0.0 109.803 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.3 mt -56.96 -52.58 64.65 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.28 1.032 . . . . 0.0 110.705 177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.96 -50.6 50.3 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.742 1.163 . . . . 0.0 113.319 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -60.05 -47.47 85.74 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.851 0.825 . . . . 0.0 110.958 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.16 -38.86 92.85 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.701 0.682 . . . . 0.0 110.127 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -64.54 -34.38 78.1 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.361 -1.304 . . . . 0.0 108.029 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -70.01 -41.21 74.61 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 117.494 -1.241 . . . . 0.0 108.823 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.68 -39.04 90.87 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.48 -40.46 95.73 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.919 0.887 . . . . 0.0 109.563 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -64.74 -43.14 94.31 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.167 1.387 . . . . 0.0 110.315 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.59 -49.45 77.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.396 1.078 . . . . 0.0 108.736 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.335 4.4 pp -64.26 -30.98 72.01 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.173 0.897 . . . . 0.0 111.104 176.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.85 -37.87 85.29 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.3 m -62.37 -42.65 99.58 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -65.16 -43.69 90.96 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.066 177.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.17 -45.53 92.79 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.858 1.208 . . . . 0.0 109.877 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.03 96.67 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.709 1.204 . . . . 0.0 109.283 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -61.91 -43.14 99.46 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.89 -48.75 79.1 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.263 1.825 . . . . 0.0 113.25 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -74.38 -35.94 63.52 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.66 -21.61 55.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.954 1.141 . . . . 0.0 115.954 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.1 p -150.31 -41.52 0.13 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.7 -36.51 86.5 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.44 1.495 . . . . 0.0 114.865 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.3 p -100.33 -42.41 0.22 Allowed Pre-proline 0 N--CA 1.473 0.72 0 CA-C-O 115.661 -2.114 . . . . 0.0 113.371 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -61.84 -21.81 73.01 Favored 'Trans proline' 0 CA--C 1.559 1.761 0 C-N-CA 122.438 2.092 . . . . 0.0 115.353 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 117.933 -1.032 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 p -64.2 -44.35 92.22 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -150.33 179.32 8.22 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.723 1.209 . . . . 0.0 111.864 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.81 -47.85 79.32 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.573 0.749 . . . . 0.0 112.119 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -60.28 -47.76 84.63 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.324 1.05 . . . . 0.0 111.56 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -64.14 -32.4 73.95 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.243 1.383 . . . . 0.0 110.259 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -42.04 83.99 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.93 -45.39 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.275 1.03 . . . . 0.0 108.659 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.07 -43.63 91.77 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.954 1.252 . . . . 0.0 109.388 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -44.14 98.14 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.0 -40.28 94.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.85 0.86 . . . . 0.0 110.388 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt -60.63 -47.79 84.65 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.7 m -62.7 -33.34 74.88 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.007 0.923 . . . . 0.0 111.031 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -69.15 -52.5 27.48 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.808 1.185 . . . . 0.0 108.351 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.32 -34.88 77.47 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.428 1.013 . . . . 0.0 110.711 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.66 -46.34 90.16 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 125.412 1.485 . . . . 0.0 108.58 176.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -63.46 -42.5 98.63 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.131 0.878 . . . . 0.0 110.349 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.78 -50.09 73.36 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.103 -0.998 . . . . 0.0 110.159 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 4.4 pp -70.06 -28.49 65.48 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.181 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -62.89 -42.25 99.71 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.422 1.489 . . . . 0.0 107.448 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -63.49 -43.64 96.68 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -62.03 -44.37 96.86 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.512 1.051 . . . . 0.0 111.921 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.48 -47.73 83.11 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.869 1.268 . . . . 0.0 109.921 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.82 -39.62 91.04 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.105 0.962 . . . . 0.0 111.172 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.9 m -62.59 -48.58 78.82 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.185 0.994 . . . . 0.0 110.358 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -54.67 -37.97 66.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.134 0.974 . . . . 0.0 113.574 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -87.05 -39.73 15.35 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.71 -32.44 41.21 Favored Glycine 0 CA--C 1.532 1.136 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -140.22 -19.87 0.87 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.42 -64.96 3.04 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.239 1.399 . . . . 0.0 113.341 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.9 p -71.61 -37.16 5.12 Favored Pre-proline 0 N--CA 1.48 1.033 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -67.29 -9.8 26.45 Favored 'Trans proline' 0 CA--C 1.552 1.411 0 C-N-CA 122.716 2.278 . . . . 0.0 115.382 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.307 0 CA-C-N 120.183 1.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -71.24 -43.28 67.59 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -150.84 175.08 12.35 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.904 1.281 . . . . 0.0 110.873 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.7 -44.56 90.34 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.534 -0.729 . . . . 0.0 112.034 -177.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -58.61 -49.28 78.07 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.752 0.821 . . . . 0.0 112.17 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -63.72 -34.83 78.75 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.204 0.911 . . . . 0.0 110.238 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -40.61 87.66 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.75 -49.02 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.24 -41.63 84.57 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 119.362 0.983 . . . . 0.0 110.0 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -51.13 55.24 Favored Glycine 0 CA--C 1.545 1.915 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.4 -50.92 71.96 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.759 0.824 . . . . 0.0 109.938 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.49 -46.64 66.68 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.534 1.061 . . . . 0.0 110.289 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 m -60.94 -48.33 82.3 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.856 0.862 . . . . 0.0 111.963 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.52 -49.9 74.87 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.12 -35.56 80.67 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.577 1.081 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.37 -36.07 80.62 Favored 'General case' 0 CA--C 1.557 1.23 0 O-C-N 121.062 -1.024 . . . . 0.0 108.309 177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.83 -41.82 82.42 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.112 -0.993 . . . . 0.0 109.501 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -59.42 -47.55 85.03 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.74 -1.225 . . . . 0.0 108.253 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.314 4.0 pp -65.26 -29.34 70.12 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 117.619 -1.181 . . . . 0.0 110.717 177.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -65.07 -44.13 89.95 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 120.655 1.57 . . . . 0.0 107.662 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -62.34 -37.85 87.22 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -47.09 86.07 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 125.438 1.495 . . . . 0.0 109.048 176.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.14 -45.6 92.48 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 125.073 1.349 . . . . 0.0 110.887 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.29 89.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.78 -1.2 . . . . 0.0 112.309 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 m -65.86 -40.54 91.76 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.047 -1.033 . . . . 0.0 110.311 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -61.85 -55.54 28.79 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.433 1.893 . . . . 0.0 111.139 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.0 p -65.71 -37.8 87.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 117.5 -1.238 . . . . 0.0 113.451 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.24 -27.58 30.28 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.456 1.342 . . . . 0.0 116.456 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.7 m -143.2 -36.53 0.37 Allowed 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.32 -53.16 48.02 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-N 120.269 1.395 . . . . 0.0 113.09 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.441 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 65.2 m -76.63 -51.78 2.3 Favored Pre-proline 0 CA--C 1.557 1.223 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.467 177.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 16.7 Cg_exo -70.26 4.19 2.56 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 123.969 3.113 . . . . 0.0 117.305 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 O-C-N 119.003 -2.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 107.229 -1.396 . . . . 0.0 107.229 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 p -61.34 -45.33 94.86 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -150.16 173.53 13.81 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.64 0.733 . . . . 0.0 111.651 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.0 tp -49.08 -50.95 34.39 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.808 1.643 . . . . 0.0 113.218 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -59.88 -49.99 75.53 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 p -60.58 -38.5 84.82 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 119.58 1.082 . . . . 0.0 111.913 178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -41.02 99.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 118.559 0.618 . . . . 0.0 110.94 177.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.17 -48.38 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.043 0.937 . . . . 0.0 111.377 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.48 -42.15 86.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.315 1.046 . . . . 0.0 112.642 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.84 -51.81 56.7 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.18 -52.39 65.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.934 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.9 mt -52.62 -43.24 65.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.115 0.566 . . . . 0.0 112.179 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.79 -47.33 81.32 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 118.654 -0.689 . . . . 0.0 112.29 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -69.48 -39.41 77.7 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 117.666 -1.159 . . . . 0.0 111.776 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.54 -40.17 95.95 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 120.894 1.679 . . . . 0.0 108.362 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tp -68.5 -30.56 69.42 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -74.64 -38.47 62.48 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -58.41 -51.29 70.45 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.068 -1.645 . . . . 0.0 107.764 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.273 3.3 pp -62.01 -29.42 70.26 Favored 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.929 0.768 . . . . 0.0 112.458 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.19 -37.95 81.47 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -67.41 -45.29 76.58 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.732 1.213 . . . . 0.0 108.603 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -60.06 -42.6 94.86 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.12 -55.31 30.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.542 1.537 . . . . 0.0 108.447 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.33 -42.72 78.14 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.315 1.446 . . . . 0.0 111.889 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.9 m -64.31 -39.45 93.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.444 -0.785 . . . . 0.0 110.503 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -69.0 -56.06 8.93 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.733 -1.229 . . . . 0.0 112.807 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.6 p -63.3 -28.89 70.32 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.3 -12.11 49.74 Favored Glycine 0 N--CA 1.479 1.5 0 C-N-CA 125.424 1.487 . . . . 0.0 114.72 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -153.76 -52.33 0.1 Allowed 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 120.35 2.075 . . . . 0.0 115.164 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.06 -25.69 32.43 Favored Glycine 0 CA--C 1.551 2.297 0 C-N-CA 125.761 1.648 . . . . 0.0 116.623 -177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.3 m -112.73 -43.97 0.08 OUTLIER Pre-proline 0 N--CA 1.479 1.019 0 CA-C-O 115.427 -2.225 . . . . 0.0 111.997 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -66.53 -14.99 46.3 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.322 2.681 . . . . 0.0 115.17 175.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 121.397 1.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -90.65 -30.83 16.91 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -157.62 177.66 11.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.883 1.273 . . . . 0.0 110.628 177.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.4 mt -54.12 -54.15 43.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.88 0.872 . . . . 0.0 111.239 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -56.73 -44.04 81.24 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.572 1.149 . . . . 0.0 113.395 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.6 p -67.64 -31.71 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.19 1.359 . . . . 0.0 110.649 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -42.68 74.43 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.015 0.825 . . . . 0.0 109.237 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -52.33 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.037 1.335 . . . . 0.0 109.661 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.6 mt -57.78 -44.98 86.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.218 1.007 . . . . 0.0 110.66 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.65 -49.18 81.36 Favored Glycine 0 C--N 1.343 0.955 0 C-N-CA 124.141 0.876 . . . . 0.0 111.46 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -62.02 -51.71 66.92 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 117.689 -1.148 . . . . 0.0 109.641 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.22 -37.01 74.0 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 120.307 1.412 . . . . 0.0 112.192 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -67.52 -34.63 77.49 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.128 1.331 . . . . 0.0 108.461 176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -69.12 -43.41 74.5 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.25 -32.07 73.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.388 1.449 . . . . 0.0 108.322 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.88 -39.58 94.51 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 125.273 1.429 . . . . 0.0 108.756 175.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -70.66 -36.57 73.44 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 124.993 1.317 . . . . 0.0 109.147 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.1 -47.56 76.78 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 116.938 -1.506 . . . . 0.0 109.319 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.312 3.8 pp -63.92 -30.36 71.45 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.195 0.907 . . . . 0.0 110.28 176.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -63.88 -42.18 97.56 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.357 -1.719 . . . . 0.0 106.357 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.3 m -70.99 -38.03 72.7 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.764 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -62.31 -40.17 95.44 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 120.578 1.535 . . . . 0.0 112.224 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.18 -48.8 80.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.509 1.124 . . . . 0.0 110.271 176.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.95 86.51 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.012 0.925 . . . . 0.0 112.253 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.2 m -67.81 -38.42 83.27 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 120.018 -1.676 . . . . 0.0 111.541 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -64.76 -51.64 61.21 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 119.664 -1.897 . . . . 0.0 109.929 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 p -62.97 -30.57 71.69 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -14.51 36.54 Favored Glycine 0 CA--C 1.537 1.424 0 CA-C-N 119.639 1.109 . . . . 0.0 115.202 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.1 m -145.92 -50.17 0.23 Allowed 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.26 2.03 . . . . 0.0 113.511 -177.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.97 -62.74 5.94 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 125.545 1.545 . . . . 0.0 115.012 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.2 m -66.31 -49.51 53.58 Favored Pre-proline 0 N--CA 1.496 1.834 0 CA-C-O 117.269 -1.348 . . . . 0.0 112.494 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.4 -47.4 24.28 Favored 'Trans proline' 0 CA--C 1.567 2.136 0 C-N-CA 122.437 2.091 . . . . 0.0 112.502 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.303 0 CA-C-N 119.357 0.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -59.22 -34.32 72.05 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -157.57 175.5 13.86 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.601 1.16 . . . . 0.0 111.256 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 99.4 mt -57.51 -50.44 73.06 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.527 0.731 . . . . 0.0 112.092 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -58.79 -44.72 90.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.717 0.807 . . . . 0.0 111.855 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -66.42 -30.83 71.28 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.18 1.354 . . . . 0.0 110.561 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -41.0 85.25 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.46 -46.4 96.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.552 1.141 . . . . 0.0 108.968 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.7 mt -58.4 -40.99 83.88 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.82 -1.175 . . . . 0.0 110.699 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.1 -51.4 58.66 Favored Glycine 0 C--N 1.352 1.464 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.7 -45.47 94.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.719 0.807 . . . . 0.0 111.109 177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.53 -43.81 93.36 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 120.124 1.329 . . . . 0.0 111.065 178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.9 -41.16 97.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.078 0.853 . . . . 0.0 110.341 176.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -64.55 -48.29 75.6 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.565 1.146 . . . . 0.0 110.116 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.44 -35.47 81.01 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 120.432 1.469 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.96 -41.77 90.79 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.658 0.783 . . . . 0.0 109.355 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -68.94 -33.98 74.62 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.314 -0.866 . . . . 0.0 110.03 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -65.02 -53.14 50.69 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 120.641 -1.287 . . . . 0.0 109.923 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.27 4.2 pp -59.65 -37.38 78.55 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.271 1.396 . . . . 0.0 110.778 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -63.51 -42.59 98.48 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -67.8 -45.79 73.76 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.682 1.593 . . . . 0.0 110.007 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -55.38 -43.9 75.6 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.291 1.036 . . . . 0.0 110.226 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.15 -43.9 98.16 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.375 0.67 . . . . 0.0 109.484 178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -49.37 71.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.051 0.941 . . . . 0.0 111.99 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 m -57.85 -41.01 81.5 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.282 0.946 . . . . 0.0 111.003 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -68.09 -64.77 0.79 Allowed 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.092 -1.005 . . . . 0.0 111.701 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.5 p -58.54 -33.8 70.29 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.97 -10.83 68.63 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 116.104 1.202 . . . . 0.0 116.104 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.0 m -158.96 -48.06 0.06 Allowed 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.838 1.819 . . . . 0.0 114.817 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.06 -41.45 77.8 Favored Glycine 0 N--CA 1.479 1.502 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.05 -52.88 0.99 Allowed Pre-proline 0 N--CA 1.478 0.966 0 CA-C-N 119.491 1.645 . . . . 0.0 110.01 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -55.23 -28.78 63.57 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 123.834 3.023 . . . . 0.0 115.677 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 120.107 1.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -91.52 -26.84 18.58 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 117.95 2.574 . . . . 0.0 117.95 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -159.59 178.89 9.38 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.145 1.339 . . . . 0.0 110.822 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 mt -49.29 -60.81 2.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.476 1.111 . . . . 0.0 112.082 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -55.86 -46.7 78.18 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.14 0.976 . . . . 0.0 112.4 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -68.8 -31.4 70.38 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.992 1.269 . . . . 0.0 110.398 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -41.69 75.15 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.246 1.385 . . . . 0.0 109.445 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.04 -44.81 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 71.8 mt -59.0 -41.34 87.42 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.235 0.925 . . . . 0.0 110.827 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.74 -38.99 94.7 Favored Glycine 0 CA--C 1.532 1.116 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -71.74 -44.21 64.49 Favored 'General case' 0 C--O 1.22 -0.476 0 C-N-CA 125.055 1.342 . . . . 0.0 108.166 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.25 -42.22 81.09 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 119.951 -1.718 . . . . 0.0 109.078 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.803 1.183 . . . . 0.0 111.175 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.16 -49.3 72.64 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.49 -41.03 93.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.476 -0.765 . . . . 0.0 110.718 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.11 -28.97 69.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.454 1.501 . . . . 0.0 111.537 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -86.48 -40.16 15.58 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.671 0.788 . . . . 0.0 110.293 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -55.81 -51.63 66.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.095 1.758 . . . . 0.0 110.566 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.254 3.3 pp -60.03 -29.77 68.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.14 -0.975 . . . . 0.0 113.109 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -71.27 -35.86 71.53 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -66.5 -42.37 87.47 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -62.02 -34.88 77.03 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 118.753 0.706 . . . . 0.0 111.102 177.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.33 -38.6 91.78 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.495 1.118 . . . . 0.0 109.245 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.2 96.45 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.788 0.722 . . . . 0.0 109.589 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -67.01 -44.06 81.29 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.123 -0.985 . . . . 0.0 110.326 176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.46 -42.69 88.01 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.347 1.859 . . . . 0.0 112.757 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 p -84.12 -31.07 25.44 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.542 1.537 . . . . 0.0 113.903 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.51 -8.78 57.18 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -157.0 -28.03 0.09 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 120.698 2.249 . . . . 0.0 115.244 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.65 -70.02 1.27 Allowed Glycine 0 CA--C 1.538 1.527 0 N-CA-C 115.234 0.854 . . . . 0.0 115.234 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.5 p -71.67 -38.95 6.79 Favored Pre-proline 0 N--CA 1.482 1.135 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -60.72 -32.21 92.82 Favored 'Trans proline' 0 CA--C 1.579 2.775 0 C-N-CA 122.604 2.203 . . . . 0.0 112.958 174.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.363 1.161 0 CA-C-N 120.517 1.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -53.43 -53.29 53.46 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -148.36 176.09 10.56 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.969 0.908 . . . . 0.0 111.961 -178.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.0 mt -57.99 -44.97 87.48 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.722 -0.656 . . . . 0.0 112.363 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -59.45 -49.48 77.63 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.402 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.9 p -63.01 -37.44 87.2 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.405 1.002 . . . . 0.0 111.512 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -41.29 96.66 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.121 0.873 . . . . 0.0 109.955 177.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.2 t -64.1 -47.89 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.51 1.524 . . . . 0.0 108.89 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.33 -36.85 76.43 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.136 0.88 . . . . 0.0 110.055 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.72 79.17 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.106 1.336 . . . . 0.0 110.123 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -64.14 -41.42 97.2 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.261 -1.141 . . . . 0.0 110.711 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -61.61 -42.99 99.65 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 119.558 1.072 . . . . 0.0 108.517 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.5 m -62.93 -37.69 88.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.125 0.97 . . . . 0.0 110.469 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.51 -51.19 61.79 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 117.873 -1.06 . . . . 0.0 109.283 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.25 -38.22 82.81 Favored 'General case' 0 CA--C 1.559 1.289 0 CA-C-N 120.469 1.486 . . . . 0.0 110.687 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.3 mt -65.2 -40.98 94.91 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.265 1.026 . . . . 0.0 110.139 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.94 -32.7 65.45 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 120.822 -1.174 . . . . 0.0 109.9 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -62.9 -48.26 79.73 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 117.016 -1.468 . . . . 0.0 108.093 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.306 4.6 pp -61.62 -35.12 76.98 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.337 1.426 . . . . 0.0 111.202 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.57 -38.04 89.64 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.217 1.371 . . . . 0.0 107.875 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 m -66.54 -43.31 85.51 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.753 1.221 . . . . 0.0 110.508 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -57.96 -46.06 85.69 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.574 1.079 . . . . 0.0 110.671 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.1 mt -61.39 -40.15 93.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 110.376 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.9 73.15 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 119.532 1.06 . . . . 0.0 108.867 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.2 m -58.56 -40.31 82.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.672 -1.267 . . . . 0.0 109.56 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -67.64 -58.01 5.42 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 119.291 -2.131 . . . . 0.0 109.753 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.1 p -66.36 -13.27 60.35 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.89 -19.53 9.04 Favored Glycine 0 N--CA 1.481 1.675 0 C-N-CA 125.752 1.644 . . . . 0.0 114.63 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -146.91 -47.39 0.18 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.77 1.285 . . . . 0.0 113.723 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.73 -34.57 50.82 Favored Glycine 0 CA--C 1.546 1.993 0 C-N-CA 125.953 1.74 . . . . 0.0 115.561 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.7 p -115.95 -36.24 0.08 OUTLIER Pre-proline 0 CA--C 1.555 1.154 0 CA-C-O 115.141 -2.361 . . . . 0.0 115.353 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.35 0.41 6.84 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 123.111 2.54 . . . . 0.0 116.059 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 121.001 1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -67.68 -33.31 74.67 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 -177.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -157.2 175.84 13.51 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.644 1.178 . . . . 0.0 111.719 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt -54.59 -49.92 69.26 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.905 0.882 . . . . 0.0 111.711 178.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 m -60.25 -46.54 89.43 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 117.775 -1.107 . . . . 0.0 111.993 179.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 53.8 p -61.4 -32.79 72.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.067 1.758 . . . . 0.0 111.171 177.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.17 -41.22 70.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.314 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.81 -44.75 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 124.755 1.222 . . . . 0.0 108.565 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.55 -44.98 96.06 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.68 -44.4 94.05 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.097 0.856 . . . . 0.0 111.088 177.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -62.19 -45.27 94.1 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.472 1.109 . . . . 0.0 111.466 176.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.08 -41.45 98.19 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.43 -0.793 . . . . 0.0 109.142 177.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -36.85 84.45 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.552 176.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -66.79 -47.0 73.48 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.069 1.348 . . . . 0.0 108.483 177.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.45 -37.97 87.94 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.661 1.119 . . . . 0.0 109.358 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.62 -42.58 95.4 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.07 -38.06 89.7 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.17 0.988 . . . . 0.0 111.374 177.201 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -61.4 -53.65 53.85 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.653 1.181 . . . . 0.0 109.12 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.304 4.0 pp -64.59 -33.54 76.17 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.073 177.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -64.81 -34.29 78.0 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.728 1.603 . . . . 0.0 109.307 176.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -68.58 -50.43 51.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.622 1.569 . . . . 0.0 107.687 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -57.34 -41.45 80.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.538 0.735 . . . . 0.0 110.757 177.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.42 -39.96 92.68 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 110.898 177.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.48 -48.9 71.03 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 109.01 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.2 m -58.44 -40.37 82.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.77 0.828 . . . . 0.0 110.893 177.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -64.27 -64.92 0.76 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.133 1.773 . . . . 0.0 110.113 178.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -61.88 -23.91 66.6 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.375 1.47 . . . . 0.0 114.578 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.67 -20.39 22.08 Favored Glycine 0 CA--C 1.535 1.316 0 CA-C-N 119.463 1.029 . . . . 0.0 114.583 178.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 m -146.48 -49.06 0.2 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.5 1.65 . . . . 0.0 114.802 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -31.48 60.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.034 1.778 . . . . 0.0 116.5 -175.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 p -113.13 -37.03 0.1 Allowed Pre-proline 0 N--CA 1.479 1.001 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 177.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.96 -12.51 15.49 Favored 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 123.585 2.857 . . . . 0.0 117.2 176.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.449 0 CA-C-N 120.471 1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -70.28 -28.17 65.0 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -176.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -158.0 175.72 13.45 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.437 1.495 . . . . 0.0 110.139 176.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.7 -35.3 77.63 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.931 -1.106 . . . . 0.0 113.311 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -63.24 -48.81 76.66 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.307 1.412 . . . . 0.0 110.187 176.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -64.42 -27.28 68.89 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.523 1.056 . . . . 0.0 110.404 177.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.73 68.2 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.661 1.119 . . . . 0.0 110.367 177.196 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.1 -45.01 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 176.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.95 -34.0 76.99 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.857 -0.592 . . . . 0.0 109.558 177.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.48 92.07 Favored Glycine 0 N--CA 1.474 1.217 0 C-N-CA 125.006 1.289 . . . . 0.0 111.462 175.103 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.99 -42.72 90.68 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.755 1.222 . . . . 0.0 108.224 176.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 mt -66.04 -47.9 72.83 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -57.31 -33.39 67.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.416 1.086 . . . . 0.0 112.232 177.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.58 -52.04 62.73 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.169 0.988 . . . . 0.0 109.6 176.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -62.76 -38.04 89.0 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 118.765 0.711 . . . . 0.0 111.413 177.275 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.9 mt -65.48 -47.24 76.75 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 0.0 110.732 177.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -63.32 -36.09 82.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.029 0.831 . . . . 0.0 110.954 177.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -61.64 -55.64 28.4 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 118.045 -0.979 . . . . 0.0 108.409 177.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.302 3.9 pp -60.77 -35.0 75.32 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.429 1.013 . . . . 0.0 112.581 177.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -63.52 -42.77 98.45 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.861 1.21 . . . . 0.0 108.916 177.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.0 m -65.95 -42.27 90.18 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.413 1.485 . . . . 0.0 110.712 177.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.13 97.79 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.916 0.886 . . . . 0.0 110.184 176.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.0 -42.54 98.65 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.624 0.77 . . . . 0.0 110.438 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.79 90.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.793 0.837 . . . . 0.0 110.339 177.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.1 m -62.5 -40.34 96.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.229 1.012 . . . . 0.0 111.069 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.26 -48.41 70.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 0.0 112.863 177.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 p -66.7 -19.33 65.74 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 178.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.77 -28.4 7.02 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-O 118.703 -1.054 . . . . 0.0 114.466 178.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -142.16 -48.48 0.36 Allowed 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -177.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.43 -42.92 26.91 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.99 1.281 . . . . 0.0 116.231 -176.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 95.1 m -101.88 -51.14 0.16 Allowed Pre-proline 0 N--CA 1.474 0.76 0 CA-C-O 117.185 -1.388 . . . . 0.0 111.68 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 12.8 Cg_exo -72.96 4.11 3.95 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.695 2.93 . . . . 0.0 115.561 178.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 O-C-N 120.03 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -55.79 -33.48 64.42 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 117.047 2.24 . . . . 0.0 117.047 -179.234 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -157.74 172.81 17.83 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.243 1.417 . . . . 0.0 112.027 176.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.83 -45.34 70.84 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 178.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -63.85 -42.73 97.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.764 176.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.4 p -65.54 -29.49 70.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.402 1.91 . . . . 0.0 111.681 177.323 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -40.94 89.18 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.616 1.098 . . . . 0.0 109.376 174.424 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.22 -46.6 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.633 1.173 . . . . 0.0 108.071 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.13 -35.73 75.94 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 121.368 -0.833 . . . . 0.0 109.993 177.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.4 -48.43 82.32 Favored Glycine 0 N--CA 1.469 0.9 0 C-N-CA 124.892 1.234 . . . . 0.0 110.636 177.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.41 -48.24 81.31 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 123.908 0.883 . . . . 0.0 109.044 176.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.87 98.43 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.357 0.981 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -65.02 -32.7 74.56 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.786 1.234 . . . . 0.0 111.146 178.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -65.73 -51.05 62.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.43 1.092 . . . . 0.0 108.457 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.27 -32.38 73.08 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.23 177.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.84 -46.56 71.45 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.042 1.337 . . . . 0.0 108.3 176.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -62.51 -37.71 87.11 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.068 0.849 . . . . 0.0 109.159 177.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.46 -52.32 64.0 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 117.522 -1.228 . . . . 0.0 107.726 178.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.346 3.9 pp -62.1 -34.55 76.54 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.114 1.325 . . . . 0.0 111.889 177.545 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -62.84 -40.64 98.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -67.56 -53.3 29.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.524 1.53 . . . . 0.0 110.17 177.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -58.46 -28.61 65.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.299 1.04 . . . . 0.0 113.197 177.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.61 -36.52 83.02 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.574 1.534 . . . . 0.0 109.092 177.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.55 69.5 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -63.14 -36.67 84.4 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.199 -0.938 . . . . 0.0 111.392 176.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -69.12 -53.61 19.31 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.215 1.806 . . . . 0.0 110.547 178.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.8 p -63.83 -28.65 70.0 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 178.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.13 -29.4 11.5 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-O 118.544 -1.142 . . . . 0.0 114.459 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 m -135.72 -51.81 0.74 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.654 1.727 . . . . 0.0 113.902 -177.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.83 -61.31 4.87 Favored Glycine 0 C--N 1.342 0.866 0 C-N-CA 127.971 2.7 . . . . 0.0 115.222 -174.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.8 m -77.3 -49.56 2.28 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 117.203 -1.38 . . . . 0.0 113.76 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.49 -29.11 89.18 Favored 'Trans proline' 0 CA--C 1.549 1.272 0 C-N-CA 122.953 2.435 . . . . 0.0 115.34 179.144 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.653 0 CA-C-N 120.668 1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -84.95 -20.63 30.34 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -177.33 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -164.57 176.48 8.89 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.037 2.135 . . . . 0.0 110.484 176.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.53 -45.46 85.0 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.61 -0.681 . . . . 0.0 111.771 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -59.05 -47.61 84.61 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.684 1.193 . . . . 0.0 112.147 178.061 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.7 p -65.37 -28.74 69.49 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.419 1.463 . . . . 0.0 111.011 177.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.25 73.68 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.812 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.72 -46.22 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.103 0.961 . . . . 0.0 109.601 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.98 -31.87 71.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.462 0.705 . . . . 0.0 110.791 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.21 81.72 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 176.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.15 -45.52 88.12 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.41 -47.61 81.26 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.083 0.953 . . . . 0.0 110.438 177.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -59.43 -40.39 86.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.616 1.166 . . . . 0.0 111.832 177.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.92 -51.1 66.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.999 0.92 . . . . 0.0 109.941 177.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.61 -34.15 75.15 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.776 -0.577 . . . . 0.0 112.221 177.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.62 -44.9 89.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.371 0.668 . . . . 0.0 109.246 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.66 -37.19 86.42 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 122.681 0.392 . . . . 0.0 110.555 177.635 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.41 -55.05 27.48 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.975 176.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.271 3.5 pp -61.56 -33.31 73.64 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.457 1.026 . . . . 0.0 112.74 177.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.19 -43.74 97.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.572 1.078 . . . . 0.0 109.041 176.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -65.97 -51.85 54.82 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.088 1.355 . . . . 0.0 109.578 178.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -61.6 -29.8 70.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.637 0.775 . . . . 0.0 112.205 178.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -62.9 -41.89 99.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.647 1.112 . . . . 0.0 108.897 176.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.96 91.2 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.447 0.699 . . . . 0.0 109.295 177.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -59.08 -46.07 89.2 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.718 . . . . 0.0 111.02 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.98 -53.36 26.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.807 0.843 . . . . 0.0 111.946 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.1 p -67.24 -17.37 64.78 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.54 -30.5 4.62 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 115.769 1.068 . . . . 0.0 115.769 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -131.62 -46.47 0.97 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -177.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.91 -67.25 2.3 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.931 1.253 . . . . 0.0 114.823 -177.195 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.0 m -64.32 -49.11 74.1 Favored Pre-proline 0 N--CA 1.482 1.151 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.033 177.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.72 -41.78 74.61 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 122.712 2.274 . . . . 0.0 113.821 178.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.387 0 O-C-N 120.738 -1.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 p -67.07 -33.05 74.67 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -178.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -157.31 172.1 19.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.527 1.531 . . . . 0.0 110.432 178.013 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.2 tp -58.62 -41.47 86.01 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.692 -0.63 . . . . 0.0 112.105 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -58.8 -46.82 86.7 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.766 177.332 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.0 p -66.0 -31.41 72.3 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.6 1.545 . . . . 0.0 110.552 177.316 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -46.32 76.68 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.278 0.945 . . . . 0.0 108.541 177.122 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.5 -38.46 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.645 0.778 . . . . 0.0 109.054 177.1 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.4 -35.58 77.92 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.9 1.28 . . . . 0.0 108.925 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.59 -46.88 72.77 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 177.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.68 -37.98 89.39 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.054 1.427 . . . . 0.0 110.141 177.032 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.4 mt -68.81 -29.34 67.67 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.971 -1.08 . . . . 0.0 109.247 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 m -70.31 -33.71 71.85 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 176.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -68.85 -40.5 79.32 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 175.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.6 -35.76 81.56 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 120.288 1.404 . . . . 0.0 110.672 176.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.64 -44.56 77.65 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.775 -1.203 . . . . 0.0 108.153 175.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -63.59 -34.22 77.33 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 120.516 -1.365 . . . . 0.0 111.301 177.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -63.26 -55.61 23.39 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 177.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pp -60.91 -34.29 74.45 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.627 1.103 . . . . 0.0 112.226 177.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.4 -43.66 93.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.626 1.557 . . . . 0.0 108.781 177.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.1 m -62.43 -47.97 81.73 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.25 1.42 . . . . 0.0 109.562 177.431 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -58.57 -47.2 85.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.643 0.777 . . . . 0.0 110.471 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 mt -58.7 -42.43 88.57 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.515 1.126 . . . . 0.0 111.275 177.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.91 63.25 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.789 0.835 . . . . 0.0 112.061 177.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.1 m -64.83 -38.86 92.39 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.472 -0.767 . . . . 0.0 111.743 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -62.57 -57.56 10.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.167 1.387 . . . . 0.0 112.115 178.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -67.03 -24.71 66.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.03 -36.65 4.9 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 115.613 1.005 . . . . 0.0 115.613 -179.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -124.41 -44.46 2.0 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.571 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.17 -38.05 93.85 Favored Glycine 0 CA--C 1.533 1.181 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 -176.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.456 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 17.6 m -81.61 -53.34 0.73 Allowed Pre-proline 0 N--CA 1.48 1.073 0 CA-C-O 116.993 -1.479 . . . . 0.0 113.414 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 24.2 Cg_exo -64.8 -18.51 62.68 Favored 'Trans proline' 0 CA--C 1.549 1.228 0 C-N-CA 122.371 2.047 . . . . 0.0 115.234 178.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.17 0 CA-C-N 119.927 1.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -72.67 -36.25 67.9 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -152.57 175.84 12.34 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.592 1.157 . . . . 0.0 111.545 177.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.7 tp -52.52 -53.91 39.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.253 1.421 . . . . 0.0 112.358 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 m -60.59 -48.5 81.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.253 1.021 . . . . 0.0 112.256 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -62.88 -31.04 72.0 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.02 1.282 . . . . 0.0 112.049 177.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -47.98 78.88 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 118.803 0.729 . . . . 0.0 109.291 177.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.03 -38.8 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 O-C-N 121.748 -0.595 . . . . 0.0 109.997 177.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.43 -44.12 92.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.737 0.815 . . . . 0.0 111.552 177.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.03 -40.29 96.84 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 176.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -65.89 -38.8 89.71 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 121.467 -1.02 . . . . 0.0 109.965 175.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.56 -38.33 89.65 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 177.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.8 m -59.87 -36.71 77.45 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.696 1.134 . . . . 0.0 108.731 178.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -70.2 -44.6 68.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.175 -0.953 . . . . 0.0 109.24 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -60.86 -35.9 77.78 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.963 -1.086 . . . . 0.0 110.314 177.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.8 -43.27 89.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.72 1.208 . . . . 0.0 109.774 175.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -62.13 -38.05 87.45 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.221 1.008 . . . . 0.0 110.083 176.316 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.57 -51.27 63.68 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-O 117.254 -1.355 . . . . 0.0 107.687 178.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.294 4.0 pp -63.25 -31.86 73.11 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 120.521 1.509 . . . . 0.0 112.07 177.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.36 -37.87 88.94 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 120.381 1.446 . . . . 0.0 109.324 176.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -64.72 -45.81 84.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.74 1.616 . . . . 0.0 108.933 177.118 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -64.26 -40.87 96.89 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.565 -1.334 . . . . 0.0 111.187 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.74 -46.93 87.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.179 1.392 . . . . 0.0 109.251 177.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.24 94.13 Favored 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 124.22 1.008 . . . . 0.0 110.349 177.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -64.48 -47.57 78.45 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.255 0.622 . . . . 0.0 111.239 177.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.8 -45.9 91.84 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.065 1.346 . . . . 0.0 111.759 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -68.17 -54.09 20.42 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -26.15 64.36 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 116.899 1.52 . . . . 0.0 116.899 -177.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -131.25 -39.59 1.16 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.072 1.436 . . . . 0.0 114.702 -177.408 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.79 -39.23 97.19 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 121.504 -0.748 . . . . 0.0 114.051 -179.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.43 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 13.0 m -81.06 -52.97 0.81 Allowed Pre-proline 0 N--CA 1.478 0.943 0 CA-C-O 117.467 -1.254 . . . . 0.0 113.51 178.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 16.5 Cg_exo -71.69 -10.03 25.89 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 123.329 2.686 . . . . 0.0 115.613 178.68 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 119.625 -1.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 p -70.62 -40.23 73.28 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -177.375 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -151.45 175.01 12.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.594 1.158 . . . . 0.0 110.64 177.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.15 -44.55 87.93 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.628 -0.67 . . . . 0.0 112.104 -179.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -59.61 -46.23 89.59 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.4 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.2 p -66.57 -32.79 74.36 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.117 1.326 . . . . 0.0 110.929 176.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -41.87 96.02 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.209 0.913 . . . . 0.0 109.123 176.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.4 -44.64 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.637 1.175 . . . . 0.0 108.894 176.469 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.45 -43.87 84.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.486 1.114 . . . . 0.0 110.118 177.459 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.94 -40.7 95.7 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.72 -40.57 76.16 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.804 176.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.12 -42.31 94.49 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 118.994 0.815 . . . . 0.0 109.401 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.985 176.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -68.02 -45.21 74.61 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 110.013 177.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -59.83 -39.89 86.63 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.598 1.544 . . . . 0.0 110.477 176.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.06 -43.24 92.9 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.05 -37.87 86.59 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.471 1.108 . . . . 0.0 110.027 177.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.19 -49.86 70.38 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 177.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -58.03 -42.74 85.97 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.558 1.143 . . . . 0.0 110.465 177.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.9 -40.92 97.1 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.76 1.224 . . . . 0.0 110.685 176.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -62.15 -47.56 84.01 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 125.133 1.373 . . . . 0.0 110.404 177.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.39 -45.04 89.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.43 0.692 . . . . 0.0 110.712 177.53 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -63.67 -42.2 98.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.639 1.176 . . . . 0.0 111.314 177.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.96 91.18 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.491 1.041 . . . . 0.0 109.762 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 m -61.16 -48.56 81.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.323 0.649 . . . . 0.0 109.74 177.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.18 -68.34 0.33 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.849 1.66 . . . . 0.0 111.776 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.0 p -63.79 -21.25 66.33 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.277 1.431 . . . . 0.0 113.094 -176.136 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.52 -28.71 15.81 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.113 0.863 . . . . 0.0 115.194 177.155 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 m -154.23 -36.57 0.1 Allowed 'General case' 0 N--CA 1.485 1.298 0 O-C-N 120.217 -1.755 . . . . 0.0 115.719 177.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.99 -34.06 37.85 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.85 1.214 . . . . 0.0 114.93 -178.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.272 14.0 p -109.88 -43.6 0.1 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-O 117.066 -1.445 . . . . 0.0 110.633 178.648 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -62.0 -12.94 28.46 Favored 'Trans proline' 0 CA--C 1.548 1.177 0 C-N-CA 123.458 2.772 . . . . 0.0 114.614 177.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.169 0 CA-C-N 120.567 1.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 p -72.66 -34.91 67.57 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -176.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -156.98 175.32 14.25 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.322 1.449 . . . . 0.0 110.522 178.785 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.83 -42.26 88.84 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.678 -1.264 . . . . 0.0 112.969 178.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -59.21 -50.1 75.31 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 117.359 -1.305 . . . . 0.0 109.87 177.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.1 p -66.53 -26.83 67.33 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.367 1.439 . . . . 0.0 111.346 177.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -44.71 68.08 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.808 1.185 . . . . 0.0 108.299 178.11 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.07 -44.38 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 tp -58.64 -38.61 78.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.891 0.877 . . . . 0.0 109.74 177.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.29 -40.69 94.79 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 178.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.66 -37.98 88.03 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.806 1.303 . . . . 0.0 108.641 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.73 -39.78 91.48 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.272 -0.892 . . . . 0.0 109.373 175.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.6 m -59.72 -42.34 92.86 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.76 -1.213 . . . . 0.0 108.754 176.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.77 -49.12 74.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.183 1.393 . . . . 0.0 109.171 177.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.35 -40.65 91.46 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 120.095 1.316 . . . . 0.0 110.575 177.432 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.21 -38.88 86.02 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.423 1.489 . . . . 0.0 110.096 177.202 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -64.42 -42.25 96.15 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.056 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.68 -45.92 87.91 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 176.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -56.02 -45.89 78.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.827 1.251 . . . . 0.0 111.021 177.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.19 -39.5 92.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.596 1.159 . . . . 0.0 109.464 177.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -67.09 -40.73 87.0 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.716 1.207 . . . . 0.0 110.568 177.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -65.47 -44.13 88.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 109.09 177.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -58.8 -52.95 63.53 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.718 1.607 . . . . 0.0 109.24 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.52 -51.66 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.281 1.432 . . . . 0.0 111.476 177.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.4 m -57.7 -48.44 79.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.778 0.831 . . . . 0.0 111.122 178.475 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -67.94 -54.9 15.17 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.787 -1.196 . . . . 0.0 112.363 -178.056 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.3 p -68.84 -17.9 64.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.554 1.686 . . . . 0.0 115.554 -178.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.19 -22.63 7.41 Favored Glycine 0 N--CA 1.486 2.002 0 C-N-CA 125.151 1.357 . . . . 0.0 114.57 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -141.86 -49.12 0.38 Allowed 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.17 1.485 . . . . 0.0 114.865 -177.636 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.26 -64.06 4.13 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.994 2.235 . . . . 0.0 118.479 -177.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -49.18 15.71 Favored Pre-proline 0 N--CA 1.493 1.687 0 CA-C-O 116.709 -1.615 . . . . 0.0 113.453 -177.494 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -67.77 13.43 0.18 Allowed 'Trans proline' 0 CA--C 1.555 1.56 0 C-N-CA 124.675 3.583 . . . . 0.0 115.932 178.216 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 O-C-N 119.872 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p -75.79 -23.45 55.86 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -177.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -165.89 176.07 8.15 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.281 2.232 . . . . 0.0 110.325 177.064 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.3 mt -56.94 -44.9 82.96 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.668 0.787 . . . . 0.0 112.174 178.06 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -56.78 -48.98 76.66 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.885 0.874 . . . . 0.0 111.908 178.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -67.13 -28.91 68.54 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 120.19 1.359 . . . . 0.0 111.857 177.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -48.08 70.25 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 119.251 0.932 . . . . 0.0 109.593 175.511 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.89 -43.26 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 125.193 1.397 . . . . 0.0 108.848 177.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 tp -60.79 -40.75 93.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.22 1.008 . . . . 0.0 110.472 177.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.85 -45.58 93.85 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 177.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -59.01 -45.77 89.85 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 176.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.91 -38.47 78.99 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.297 1.439 . . . . 0.0 111.521 177.179 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -59.56 -39.66 84.76 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.144 1.338 . . . . 0.0 109.729 177.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -72.4 -42.48 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.929 0.892 . . . . 0.0 109.929 177.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.85 -40.57 84.66 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.276 0.944 . . . . 0.0 109.23 177.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.81 -41.87 99.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.055 1.342 . . . . 0.0 108.771 176.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -41.59 97.15 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.806 0.842 . . . . 0.0 110.249 176.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -64.65 -45.69 85.7 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.38 -46.24 89.21 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.763 1.225 . . . . 0.0 111.597 177.337 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -59.41 -38.86 81.67 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.569 1.148 . . . . 0.0 110.043 177.441 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -64.78 -48.85 72.96 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.638 1.175 . . . . 0.0 109.269 177.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.49 -45.48 88.6 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.782 0.833 . . . . 0.0 109.816 178.13 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.06 -40.02 83.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.484 1.514 . . . . 0.0 111.448 177.606 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.04 97.65 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.68 0.673 . . . . 0.0 110.211 177.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -65.86 -45.39 82.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.954 -1.091 . . . . 0.0 110.186 177.049 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -55.95 -60.96 2.73 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.585 1.554 . . . . 0.0 111.491 177.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -65.47 -13.12 58.12 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.83 -39.25 2.37 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 119.655 1.116 . . . . 0.0 115.777 178.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 m -137.38 0.9 2.35 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.88 -73.3 1.11 Allowed Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.524 1.059 . . . . 0.0 112.315 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.0 -47.73 62.54 Favored Pre-proline 0 N--CA 1.473 0.711 0 CA-C-O 116.934 -1.508 . . . . 0.0 114.189 -178.479 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.62 -31.39 70.31 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 122.33 1.868 . . . . 0.0 115.145 -178.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.001 0 CA-C-N 119.53 1.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 p -61.7 -31.42 71.56 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 -179.323 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -159.25 173.31 16.52 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.984 1.314 . . . . 0.0 109.723 177.287 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.7 mt -60.29 -39.53 87.24 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.725 -0.61 . . . . 0.0 111.96 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m -60.26 -46.02 91.26 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.109 177.206 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.0 p -68.62 -27.36 65.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.727 1.149 . . . . 0.0 111.145 176.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.7 -43.65 75.61 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 176.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.86 -41.04 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 176.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.49 -34.81 71.34 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.559 1.144 . . . . 0.0 109.244 177.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.5 -48.32 82.8 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 176.413 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -45.39 94.82 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.413 -1.051 . . . . 0.0 109.562 176.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.97 -41.31 96.13 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.953 0.901 . . . . 0.0 110.632 177.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.0 m -62.61 -41.69 99.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.458 1.103 . . . . 0.0 108.764 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -66.44 -43.39 85.77 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.943 1.297 . . . . 0.0 109.338 178.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.35 -40.76 95.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.634 1.106 . . . . 0.0 108.845 177.693 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.12 -39.12 89.66 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 123.646 0.779 . . . . 0.0 109.469 176.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -62.87 -40.32 97.14 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.875 0.87 . . . . 0.0 109.881 177.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -62.09 -48.72 78.93 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 176.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.89 -51.76 66.46 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.253 1.421 . . . . 0.0 109.853 177.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -55.3 -39.94 70.49 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.042 1.337 . . . . 0.0 110.254 177.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.0 m -69.15 -41.55 77.15 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.335 0.654 . . . . 0.0 110.003 178.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -60.58 -26.56 67.04 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.118 -0.989 . . . . 0.0 112.182 177.299 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -59.22 -32.54 70.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.891 176.253 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.26 65.08 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 118.748 0.704 . . . . 0.0 109.613 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -61.4 -38.35 86.75 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.245 1.018 . . . . 0.0 111.523 177.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.83 -60.39 2.56 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.645 -0.659 . . . . 0.0 112.022 177.278 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.3 p -60.4 -30.72 69.78 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.593 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.96 -14.44 62.74 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 123.974 0.797 . . . . 0.0 114.936 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.6 m -157.1 -50.14 0.07 Allowed 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.527 1.663 . . . . 0.0 114.314 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.59 -48.27 49.92 Favored Glycine 0 CA--C 1.54 1.646 0 C-N-CA 125.162 1.363 . . . . 0.0 116.429 -177.519 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -56.38 0.82 Allowed Pre-proline 0 N--CA 1.475 0.799 0 CA-C-N 119.169 1.484 . . . . 0.0 112.184 177.554 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -62.1 -15.13 41.95 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.818 3.012 . . . . 0.0 116.693 -179.471 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 120.165 1.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 117.785 -1.102 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -73.37 -22.91 60.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -176.652 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -165.96 178.16 6.62 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.127 1.771 . . . . 0.0 110.209 176.306 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.67 -43.45 85.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 119.278 -0.392 . . . . 0.0 111.706 177.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -56.07 -48.81 75.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.425 1.09 . . . . 0.0 112.397 178.111 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -66.95 -32.93 74.51 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.45 1.477 . . . . 0.0 111.475 177.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.53 87.05 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.071 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.0 -39.62 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 118.043 -0.979 . . . . 0.0 109.178 177.293 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.75 -32.32 71.62 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.901 1.228 . . . . 0.0 111.064 177.412 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.05 -50.59 51.04 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 107.759 -2.136 . . . . 0.0 107.759 176.536 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -58.43 -46.68 86.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.222 1.011 . . . . 0.0 109.696 177.15 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.99 -31.87 69.18 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.331 1.052 . . . . 0.0 111.47 177.713 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.5 m -63.16 -37.48 87.38 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -75.89 -38.01 58.27 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.698 -1.144 . . . . 0.0 109.038 176.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -60.58 -37.16 80.42 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.9 1.227 . . . . 0.0 108.619 177.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.48 -49.83 69.83 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -57.67 -43.94 85.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.491 1.516 . . . . 0.0 111.329 179.676 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -58.43 -57.13 14.3 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.19 1.396 . . . . 0.0 107.817 177.484 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -60.5 -42.82 97.15 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.093 0.957 . . . . 0.0 111.899 -178.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -58.87 -41.82 88.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.878 1.217 . . . . 0.0 110.34 176.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.7 m -64.62 -45.95 84.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.432 0.693 . . . . 0.0 110.111 177.298 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -59.89 -43.67 94.67 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.657 -0.652 . . . . 0.0 110.747 177.224 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.27 -39.85 88.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.507 1.123 . . . . 0.0 111.215 178.39 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.89 75.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.085 0.857 . . . . 0.0 109.962 177.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 m -62.24 -42.27 99.17 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.318 -0.864 . . . . 0.0 111.393 177.387 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -64.69 -41.83 95.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.202 1.001 . . . . 0.0 113.043 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -81.61 -26.54 34.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.08 -21.93 19.04 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 116.711 1.444 . . . . 0.0 116.711 178.035 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.6 m -134.05 -48.22 0.79 Allowed 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.565 -1.55 . . . . 0.0 114.991 -178.036 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.96 -54.83 34.36 Favored Glycine 0 N--CA 1.479 1.504 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -177.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 p -79.01 -46.42 1.71 Allowed Pre-proline 0 N--CA 1.473 0.684 0 CA-C-O 116.588 -1.672 . . . . 0.0 113.984 -179.887 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -64.02 -29.34 66.23 Favored 'Trans proline' 0 C--N 1.357 1.017 0 CA-C-N 122.87 2.061 . . . . 0.0 113.636 177.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.559 0 O-C-N 120.382 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 p -77.36 -28.75 53.08 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -177.801 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -161.26 179.98 7.9 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.733 1.213 . . . . 0.0 111.575 -177.418 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp -50.57 -54.86 19.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.9 1.28 . . . . 0.0 111.222 177.628 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -57.54 -45.62 84.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 126.174 1.79 . . . . 0.0 112.461 -178.346 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -68.85 -32.72 72.61 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.393 0.997 . . . . 0.0 111.508 177.625 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -41.55 79.24 Favored 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.524 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.17 -47.07 91.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.316 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 tp -57.44 -37.27 72.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.618 1.167 . . . . 0.0 110.178 177.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.78 77.45 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 120.763 -1.21 . . . . 0.0 110.577 176.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.31 -40.38 95.81 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.285 1.542 . . . . 0.0 110.362 177.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.31 -41.69 98.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.13 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -62.31 -35.6 79.57 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 124.51 1.124 . . . . 0.0 109.801 177.492 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.91 -46.6 71.13 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 119.79 1.177 . . . . 0.0 108.209 177.697 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.37 -37.42 87.19 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 119.933 1.242 . . . . 0.0 109.26 178.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.95 -45.69 91.27 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.388 1.075 . . . . 0.0 108.149 176.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -56.92 -46.53 81.93 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.738 1.215 . . . . 0.0 109.638 178.238 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.01 -55.37 34.81 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.305 1.042 . . . . 0.0 109.497 177.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.5 tp -51.44 -50.52 59.57 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.944 1.698 . . . . 0.0 112.433 177.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -61.38 -39.06 89.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.071 0.948 . . . . 0.0 111.08 177.387 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -67.28 -38.98 85.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.032 0.933 . . . . 0.0 110.689 177.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -62.71 -46.83 86.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.202 -0.936 . . . . 0.0 108.493 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -60.7 -36.62 79.23 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 124.24 1.016 . . . . 0.0 111.381 177.237 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.09 -48.32 76.62 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.01 -1.056 . . . . 0.0 109.535 176.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.7 m -61.68 -39.69 92.34 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.314 -1.491 . . . . 0.0 109.415 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.71 -57.39 7.23 Favored 'General case' 0 CA--C 1.562 1.425 0 O-C-N 120.513 -1.367 . . . . 0.0 111.572 177.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.2 p -63.95 -26.02 68.4 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -178.277 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.72 -9.9 45.05 Favored Glycine 0 C--N 1.347 1.145 0 C-N-CA 125.27 1.414 . . . . 0.0 115.832 178.491 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -151.67 -51.95 0.12 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 119.669 -2.077 . . . . 0.0 115.005 177.748 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.8 -61.2 4.92 Favored Glycine 0 N--CA 1.468 0.804 0 C-N-CA 126.156 1.836 . . . . 0.0 117.324 -178.326 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.09 -48.09 2.08 Favored Pre-proline 0 N--CA 1.475 0.815 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.768 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.74 -8.94 21.0 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.948 2.432 . . . . 0.0 116.317 177.647 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.082 0 CA-C-N 121.029 1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 p -70.84 -32.4 69.42 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -177.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -160.08 175.76 12.59 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.248 1.419 . . . . 0.0 110.761 177.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 tp -56.36 -42.43 77.78 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.732 -0.605 . . . . 0.0 112.183 178.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -58.19 -50.18 74.44 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.44 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.1 p -63.86 -34.04 77.05 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 120.08 1.309 . . . . 0.0 110.317 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -45.68 77.53 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.413 1.006 . . . . 0.0 109.07 -179.578 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.75 -40.94 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 119.947 -1.721 . . . . 0.0 109.279 177.474 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.78 -31.44 72.41 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.615 1.098 . . . . 0.0 109.331 175.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.45 -47.42 63.01 Favored Glycine 0 CA--C 1.543 1.83 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 177.318 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.67 -46.36 89.27 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.375 1.088 . . . . 0.0 109.103 176.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.71 -41.62 91.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.654 0.661 . . . . 0.0 110.253 176.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 m -62.12 -38.38 88.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.451 176.898 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.41 -39.64 85.54 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.077 0.853 . . . . 0.0 108.833 176.9 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.12 -34.79 78.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.225 0.92 . . . . 0.0 109.267 177.472 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.5 -37.97 83.63 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 176.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -66.57 -42.04 87.63 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.867 1.267 . . . . 0.0 108.032 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -62.92 -44.85 94.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.544 1.137 . . . . 0.0 107.95 177.155 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.63 -47.52 85.26 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.42 1.088 . . . . 0.0 110.178 177.244 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -62.01 -37.25 84.17 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 120.04 1.291 . . . . 0.0 110.918 176.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 m -66.47 -40.26 89.24 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.718 1.207 . . . . 0.0 108.286 178.88 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -68.14 -38.19 81.9 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.794 177.188 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.89 -41.61 95.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.137 1.335 . . . . 0.0 108.854 177.475 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.21 92.06 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.951 0.796 . . . . 0.0 109.697 177.53 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -60.36 -52.8 63.71 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.936 1.294 . . . . 0.0 109.776 177.434 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -55.28 -52.69 62.61 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.504 2.322 . . . . 0.0 111.973 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.8 p -73.84 -38.44 64.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.559 1.144 . . . . 0.0 112.912 -177.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.62 -22.44 46.82 Favored Glycine 0 N--CA 1.475 1.237 0 O-C-N 120.638 -1.289 . . . . 0.0 116.217 -176.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.0 m -148.93 -37.45 0.17 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -179.477 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.9 -22.21 64.3 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 126.003 1.763 . . . . 0.0 115.304 -177.297 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.6 p -115.11 -42.52 0.06 OUTLIER Pre-proline 0 N--CA 1.479 1.008 0 CA-C-O 116.657 -1.639 . . . . 0.0 113.361 178.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -75.36 -4.9 15.97 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 123.357 2.705 . . . . 0.0 115.267 177.497 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.019 0 CA-C-N 119.729 1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p -47.52 -47.58 27.74 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -177.128 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -152.47 169.21 23.16 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.43 1.492 . . . . 0.0 109.552 176.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.21 -42.79 99.34 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.855 -1.153 . . . . 0.0 112.621 -177.212 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -59.31 -47.89 83.68 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.134 0.974 . . . . 0.0 110.4 177.554 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -65.06 -26.38 68.22 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.028 0.831 . . . . 0.0 111.439 176.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -45.89 70.17 Favored 'General case' 0 CA--C 1.564 1.519 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.53 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -66.73 -41.52 88.11 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 123.703 0.801 . . . . 0.0 109.036 176.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.65 -41.18 89.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.246 1.018 . . . . 0.0 111.19 177.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.68 -47.51 88.6 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 125.39 1.471 . . . . 0.0 109.465 178.329 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -59.59 -49.3 78.29 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.66 -43.19 84.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.18 0.992 . . . . 0.0 110.931 177.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.8 m -60.65 -39.16 87.28 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 120.546 1.521 . . . . 0.0 109.731 177.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -69.03 -43.95 73.7 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.332 1.053 . . . . 0.0 109.264 177.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -65.71 -35.59 81.19 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.7 -1.25 . . . . 0.0 110.229 177.041 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.98 -38.57 79.42 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.633 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -62.99 -40.91 99.17 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 107.377 178.012 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -67.34 -41.96 84.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.977 0.911 . . . . 0.0 109.484 176.319 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.11 -45.06 96.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.206 1.402 . . . . 0.0 110.037 177.398 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -64.3 -34.3 77.82 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 109.948 176.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.8 m -65.86 -48.32 71.96 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.89 -45.48 78.6 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.327 1.051 . . . . 0.0 110.097 176.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.35 -38.55 89.96 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.681 0.793 . . . . 0.0 110.9 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.54 92.32 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.862 0.865 . . . . 0.0 109.332 177.271 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.3 m -65.3 -44.24 88.54 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.225 0.92 . . . . 0.0 109.259 177.513 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.64 -49.16 78.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.253 1.821 . . . . 0.0 112.736 178.261 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -90.09 -14.25 34.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -177.183 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.06 -18.91 11.35 Favored Glycine 0 CA--C 1.546 1.978 0 C-N-CA 125.923 1.725 . . . . 0.0 115.497 179.725 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -140.61 -50.72 0.46 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.59 -61.81 6.67 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.68 1.61 . . . . 0.0 116.695 -177.069 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -86.77 -32.22 0.43 Allowed Pre-proline 0 N--CA 1.472 0.673 0 N-CA-C 117.149 2.278 . . . . 0.0 117.149 -178.003 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -85.07 0.55 8.83 Favored 'Trans proline' 0 CA--C 1.566 2.084 0 C-N-CA 123.08 2.52 . . . . 0.0 114.052 176.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.386 0 O-C-N 119.962 -1.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 p -58.9 -32.56 69.64 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -177.371 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -157.71 175.72 13.53 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 110.424 177.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 tp -62.57 -40.92 98.42 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.587 -0.695 . . . . 0.0 112.447 -178.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -62.86 -41.37 99.34 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.75 0.705 . . . . 0.0 111.175 176.179 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.2 p -66.25 -27.57 68.05 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.407 1.458 . . . . 0.0 109.352 176.902 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -70.41 -36.94 74.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.626 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.39 -38.67 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.471 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -64.44 -30.7 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.363 1.065 . . . . 0.0 108.684 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.54 -47.09 43.9 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 107.609 -2.196 . . . . 0.0 107.609 177.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.89 -45.61 91.97 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 124.806 1.242 . . . . 0.0 108.43 176.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.17 -44.94 96.51 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.3 m -61.17 -38.75 87.6 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.81 0.844 . . . . 0.0 110.974 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -67.96 -48.67 65.23 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.044 1.338 . . . . 0.0 110.66 177.349 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -62.08 -36.53 81.95 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 119.83 1.195 . . . . 0.0 109.481 177.176 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.02 -38.43 85.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.837 0.855 . . . . 0.0 109.252 176.261 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -64.58 -43.27 94.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.449 1.5 . . . . 0.0 108.198 177.729 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -64.32 -45.78 86.41 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.324 1.05 . . . . 0.0 108.289 177.244 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.48 -47.73 84.86 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.099 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -62.64 -31.46 72.33 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 110.315 177.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -67.34 -46.3 73.83 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 176.553 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.21 -37.08 83.97 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 176.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.8 mt -62.85 -39.55 94.73 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.042 1.292 . . . . 0.0 108.97 178.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.76 75.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.58 177.059 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.2 m -61.89 -39.35 91.66 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.317 -0.864 . . . . 0.0 111.551 177.279 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -62.87 -56.23 19.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.138 1.775 . . . . 0.0 110.989 177.296 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.1 p -69.17 -33.13 72.91 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.95 -9.47 59.6 Favored Glycine 0 CA--C 1.531 1.081 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.8 m -151.12 -46.09 0.12 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.345 1.573 . . . . 0.0 113.973 178.056 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.94 -40.25 81.18 Favored Glycine 0 N--CA 1.473 1.144 0 C-N-CA 124.372 0.987 . . . . 0.0 114.924 -177.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 p -91.47 -51.3 0.3 Allowed Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 125.953 1.701 . . . . 0.0 114.351 177.436 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.53 1.3 8.13 Favored 'Trans proline' 0 CA--C 1.544 0.976 0 C-N-CA 122.847 2.364 . . . . 0.0 115.123 177.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 119.8 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.482 1.159 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -67.5 -45.86 74.59 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 118.368 2.729 . . . . 0.0 118.368 -177.147 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -149.18 176.51 10.44 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.702 1.592 . . . . 0.0 110.972 177.972 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.8 mt -52.74 -57.33 10.49 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.821 1.249 . . . . 0.0 112.933 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -57.46 -48.38 79.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.582 1.153 . . . . 0.0 112.161 178.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.7 p -67.46 -29.09 68.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.639 1.108 . . . . 0.0 112.016 178.103 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -42.57 77.26 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.069 1.304 . . . . 0.0 108.872 176.374 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -65.08 -45.24 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.246 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.2 tp -61.01 -33.76 73.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.877 1.271 . . . . 0.0 109.782 178.136 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.18 57.37 Favored Glycine 0 N--CA 1.473 1.139 0 C-N-CA 125.732 1.634 . . . . 0.0 109.366 177.007 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.0 -43.4 95.21 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 118.262 1.031 . . . . 0.0 108.803 176.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.06 -43.13 96.43 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.98 0.912 . . . . 0.0 108.74 179.222 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.1 m -60.83 -41.48 95.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.741 0.816 . . . . 0.0 109.652 177.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -64.28 -46.69 82.56 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 125.436 1.494 . . . . 0.0 110.141 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.5 -41.47 94.36 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.85 1.204 . . . . 0.0 109.317 176.745 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.84 -42.05 97.68 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 118.864 0.756 . . . . 0.0 109.504 176.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.53 -41.56 94.72 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.813 1.245 . . . . 0.0 110.393 177.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -63.56 -45.55 89.97 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.511 1.125 . . . . 0.0 108.029 176.7 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -58.32 -48.54 80.22 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.028 0.931 . . . . 0.0 108.971 177.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.44 -35.28 75.46 Favored 'General case' 0 CA--C 1.565 1.53 0 C-N-CA 124.416 1.086 . . . . 0.0 108.802 -178.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -62.42 -47.47 83.93 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.428 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -62.57 -37.13 84.98 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-O 118.532 -0.747 . . . . 0.0 111.532 176.691 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.65 -33.97 77.13 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-O 118.698 -0.668 . . . . 0.0 109.919 177.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -47.09 72.74 Favored 'General case' 0 CA--C 1.563 1.462 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -38.25 86.18 Favored 'General case' 0 N--CA 1.501 2.117 0 CA-C-N 117.849 0.295 . . . . 0.0 110.254 177.725 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -62.04 -55.77 25.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.057 -1.027 . . . . 0.0 111.422 176.348 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -66.95 -27.21 67.28 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -178.41 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.95 -28.63 9.2 Favored Glycine 0 N--CA 1.477 1.431 0 CA-C-N 119.526 1.057 . . . . 0.0 114.175 -177.767 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -135.41 -45.25 0.69 Allowed 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.818 1.309 . . . . 0.0 113.388 -176.242 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.65 -51.51 32.81 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.986 1.755 . . . . 0.0 114.799 -177.081 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -95.23 -41.75 0.28 Allowed Pre-proline 0 N--CA 1.494 1.738 0 CA-C-O 116.033 -1.937 . . . . 0.0 114.869 177.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -67.98 7.55 0.59 Allowed 'Trans proline' 0 CA--C 1.574 2.51 0 C-N-CA 123.767 2.978 . . . . 0.0 116.329 176.535 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.08 0 CA-C-N 120.484 1.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 118.209 -0.9 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -64.26 -56.45 14.51 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -177.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -139.07 171.67 13.97 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.459 1.104 . . . . 0.0 111.2 176.255 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.23 -42.69 91.65 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -177.66 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -58.39 -50.11 74.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.401 1.001 . . . . 0.0 111.407 177.409 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.4 p -65.97 -33.29 75.47 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 121.366 -0.833 . . . . 0.0 110.604 177.11 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -40.25 88.07 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.772 0.715 . . . . 0.0 109.108 177.607 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.63 -37.78 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.713 1.205 . . . . 0.0 108.206 177.338 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 tp -65.42 -34.67 78.84 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.62 -43.7 91.47 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 175.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.67 -42.59 99.71 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.73 1.212 . . . . 0.0 107.991 177.179 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.81 -46.69 88.45 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.79 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 m -60.52 -38.35 84.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.5 1.045 . . . . 0.0 110.61 179.057 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.71 -51.47 64.84 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.166 1.348 . . . . 0.0 109.658 177.458 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.16 -34.04 77.43 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.965 -1.084 . . . . 0.0 111.738 178.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.65 -39.53 84.6 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.458 1.103 . . . . 0.0 108.946 176.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -61.37 -45.16 95.54 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.591 1.156 . . . . 0.0 108.132 177.699 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -63.03 -49.73 73.46 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.761 0.824 . . . . 0.0 109.593 177.1 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 tp -56.63 -46.14 81.15 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.057 1.343 . . . . 0.0 111.539 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -66.83 -27.48 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.213 1.005 . . . . 0.0 111.574 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -72.2 -41.84 66.49 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 177.259 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -64.53 -41.1 96.59 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 177.181 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.32 -34.97 79.36 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.298 1.039 . . . . 0.0 109.396 -179.668 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.93 92.18 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.767 1.227 . . . . 0.0 108.117 178.338 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.4 m -67.51 -41.34 84.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 177.443 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 47.1 t30 -60.82 -53.87 52.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.309 1.444 . . . . 0.0 112.069 177.621 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -66.43 34.14 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 128.758 2.823 . . . . 0.0 115.066 178.469 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.29 -75.32 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 C-N-CA 126.729 2.109 . . . . 0.0 111.209 -179.254 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.8 m -85.25 -15.9 41.97 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.197 1.399 . . . . 0.0 114.575 -179.032 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . -86.89 -55.89 2.31 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 119.795 1.18 . . . . 0.0 114.463 -178.414 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -115.92 -46.39 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.118 0 N-CA-C 117.384 2.365 . . . . 0.0 117.384 -178.523 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.52 -16.5 52.66 Favored 'Trans proline' 0 CA--C 1.548 1.22 0 C-N-CA 123.455 2.77 . . . . 0.0 117.574 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.133 0 CA-C-N 119.906 1.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 116.959 -1.496 . . . . 0.0 108.392 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -61.84 -38.07 86.84 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.713 1.605 . . . . 0.0 114.779 -177.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -158.78 171.67 19.65 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.07 1.348 . . . . 0.0 109.189 -177.612 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.99 -48.17 80.81 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.262 -1.524 . . . . 0.0 112.667 -179.668 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -62.45 -41.01 98.43 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.205 0.911 . . . . 0.0 110.838 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -68.62 -30.65 69.42 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 120.4 1.455 . . . . 0.0 109.962 176.337 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -39.97 91.84 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.715 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -65.58 -45.97 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.88 -39.53 81.69 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 -178.208 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.21 -47.15 87.87 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-O 117.801 -1.555 . . . . 0.0 109.631 179.457 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.73 -42.85 97.83 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.738 1.269 . . . . 0.0 110.642 177.34 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.77 -42.18 98.65 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.462 1.028 . . . . 0.0 108.834 177.235 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 m -65.68 -33.21 75.36 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.559 -1.21 . . . . 0.0 109.56 177.298 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -72.72 -38.32 67.5 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.229 -1.367 . . . . 0.0 110.968 175.577 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.03 -38.68 91.97 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 121.162 1.801 . . . . 0.0 107.4 176.142 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.67 -41.89 87.44 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.488 -1.383 . . . . 0.0 108.423 177.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -63.09 -39.07 93.64 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 125.357 1.463 . . . . 0.0 108.722 177.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.26 -48.05 74.58 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.149 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.2 -39.36 89.89 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.679 177.367 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -66.25 -27.59 68.07 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.756 1.222 . . . . 0.0 110.208 176.822 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.1 m -69.3 -48.06 62.67 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.63 -33.23 75.46 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.823 -0.548 . . . . 0.0 110.87 177.121 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.37 -43.43 97.65 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.985 1.314 . . . . 0.0 108.747 176.757 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.35 96.28 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.069 0.85 . . . . 0.0 109.844 177.407 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.24 -46.71 87.63 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.44 -0.788 . . . . 0.0 110.295 177.371 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -58.21 -58.19 9.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.22 1.408 . . . . 0.0 112.619 179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.5 p -61.71 -5.15 1.76 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.645 2.378 . . . . 0.0 114.701 -176.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.35 -48.02 0.12 Allowed Glycine 0 CA--C 1.533 1.18 0 CA-C-N 119.982 1.265 . . . . 0.0 114.611 177.283 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -110.6 -2.83 16.22 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -178.321 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.58 -38.97 2.3 Favored Glycine 0 N--CA 1.472 1.061 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -177.786 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.4 p -118.71 -45.21 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.39 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -68.09 -18.0 45.74 Favored 'Trans proline' 0 CA--C 1.547 1.155 0 C-N-CA 122.601 2.201 . . . . 0.0 114.001 179.072 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.727 0 CA-C-N 119.619 1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 117.783 -1.103 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -61.17 -28.27 69.01 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -177.794 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -162.0 177.13 10.05 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.723 1.609 . . . . 0.0 110.624 176.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.28 -46.38 83.17 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.308 -0.87 . . . . 0.0 111.879 177.947 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.78 -46.61 77.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.625 1.17 . . . . 0.0 112.066 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.3 p -66.99 -24.6 66.06 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.954 1.252 . . . . 0.0 110.942 176.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -37.73 64.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 176.511 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.02 -44.06 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.28 -46.25 83.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.562 1.545 . . . . 0.0 108.102 176.917 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.76 82.87 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.376 1.465 . . . . 0.0 110.024 179.111 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -59.5 -52.25 66.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.361 1.064 . . . . 0.0 109.936 177.551 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.52 -47.75 72.74 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.256 1.023 . . . . 0.0 111.304 178.153 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.4 m -63.02 -35.88 81.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.472 0.709 . . . . 0.0 111.463 176.648 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.84 -40.76 68.83 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.477 1.035 . . . . 0.0 109.511 177.654 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.49 -34.11 77.49 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 119.764 1.165 . . . . 0.0 108.412 177.427 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.25 -41.24 81.42 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.61 -39.48 91.41 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.163 0.985 . . . . 0.0 109.166 177.099 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -65.47 -43.68 89.5 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 176.464 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.62 -44.0 96.84 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.454 1.101 . . . . 0.0 108.989 178.649 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.29 -37.66 86.38 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.784 1.234 . . . . 0.0 108.939 177.108 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.8 m -67.33 -51.21 55.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.841 1.256 . . . . 0.0 108.993 178.438 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -58.12 -37.76 75.19 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.268 1.027 . . . . 0.0 110.732 177.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.49 -41.24 98.68 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.166 0.986 . . . . 0.0 109.658 177.733 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -46.02 78.06 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.377 1.071 . . . . 0.0 109.299 176.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.0 m -58.25 -44.67 88.43 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.712 -1.242 . . . . 0.0 110.274 177.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.77 -44.97 91.85 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.067 1.347 . . . . 0.0 112.726 178.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -74.87 -28.75 60.78 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -32.39 7.74 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 119.201 0.909 . . . . 0.0 115.336 -178.741 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -131.6 -33.21 1.44 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.92 -45.37 92.65 Favored Glycine 0 N--CA 1.47 0.952 0 CA-C-N 119.058 0.845 . . . . 0.0 114.176 -177.883 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.2 p -92.95 -44.26 0.33 Allowed Pre-proline 0 N--CA 1.476 0.832 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -179.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -76.77 5.15 5.06 Favored 'Trans proline' 0 CA--C 1.555 1.563 0 C-N-CA 123.646 2.897 . . . . 0.0 114.554 -179.418 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.279 0 CA-C-N 120.912 1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p -66.53 -29.54 69.65 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 178.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -161.18 179.08 8.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.808 1.643 . . . . 0.0 109.631 177.299 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.04 -45.67 86.62 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.036 -1.04 . . . . 0.0 111.763 177.599 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -55.74 -50.75 69.52 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.276 1.031 . . . . 0.0 111.906 177.789 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.0 p -67.44 -27.13 66.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.465 1.03 . . . . 0.0 111.652 177.442 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -44.97 68.03 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.634 1.106 . . . . 0.0 108.694 176.299 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.73 -38.95 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.476 1.11 . . . . 0.0 108.358 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.0 tp -64.6 -38.04 89.62 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 121.075 -1.015 . . . . 0.0 108.416 178.044 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.65 -43.76 98.64 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 109.159 -1.577 . . . . 0.0 109.159 176.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.72 -46.02 87.32 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.055 -1.45 . . . . 0.0 108.343 176.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.9 -40.28 79.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.421 1.464 . . . . 0.0 110.118 177.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.0 m -64.65 -37.76 88.68 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.345 0.975 . . . . 0.0 109.199 177.512 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -68.27 -43.69 77.23 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.628 177.078 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.4 -36.16 79.52 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.041 1.292 . . . . 0.0 110.426 175.791 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -67.49 -44.17 79.16 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.099 0.96 . . . . 0.0 108.889 176.737 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -66.27 -36.66 83.56 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 120.221 1.373 . . . . 0.0 108.703 178.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.43 -46.23 87.28 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.018 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.94 -47.8 79.82 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.513 1.525 . . . . 0.0 109.989 177.41 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -60.51 -39.16 86.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 119.457 1.026 . . . . 0.0 110.824 176.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.4 m -65.82 -43.81 87.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.742 1.217 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -67.1 -40.35 86.87 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.649 -0.657 . . . . 0.0 109.257 177.488 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.77 -38.98 90.05 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.57 1.548 . . . . 0.0 109.596 177.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.85 87.97 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.61 0.764 . . . . 0.0 109.03 177.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 m -65.32 -44.02 89.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.453 1.101 . . . . 0.0 110.111 177.014 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -60.38 -56.24 23.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.075 2.15 . . . . 0.0 111.493 177.127 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.6 p -74.01 -30.42 62.44 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.908 1.283 . . . . 0.0 114.145 -178.455 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.35 -11.15 54.89 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 116.584 1.394 . . . . 0.0 116.584 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.8 m -148.4 -47.49 0.15 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 119.854 -1.968 . . . . 0.0 114.168 177.578 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.05 -48.42 63.08 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.142 0.877 . . . . 0.0 114.58 -178.116 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 p -85.8 -48.28 0.56 Allowed Pre-proline 0 N--CA 1.477 0.901 0 CA-C-O 115.928 -1.987 . . . . 0.0 114.117 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.83 -12.16 34.49 Favored 'Trans proline' 0 CA--C 1.566 2.119 0 C-N-CA 122.618 2.212 . . . . 0.0 116.015 177.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.288 0 CA-C-N 120.161 1.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -77.99 -33.84 51.13 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -177.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -153.13 175.9 12.51 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.978 1.711 . . . . 0.0 110.664 -179.015 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.89 -43.42 94.79 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.061 179.459 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -59.61 -43.6 93.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.292 0.951 . . . . 0.0 111.75 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.5 p -67.56 -33.32 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.625 -1.297 . . . . 0.0 110.093 177.395 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.37 -40.4 81.47 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.636 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.92 -46.26 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.338 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 tp -57.67 -43.0 84.7 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.924 1.238 . . . . 0.0 108.646 177.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.74 -44.08 98.37 Favored Glycine 0 CA--C 1.538 1.499 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 177.29 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -62.79 -43.91 97.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.709 -1.139 . . . . 0.0 109.637 177.216 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.8 mt -58.42 -45.64 88.03 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.648 1.567 . . . . 0.0 109.388 177.053 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.34 -38.24 86.22 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.587 0.755 . . . . 0.0 110.879 176.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -68.55 -44.44 74.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.088 0.955 . . . . 0.0 109.894 177.581 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.18 -40.2 95.23 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.504 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.59 -43.65 98.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.932 1.293 . . . . 0.0 109.02 177.204 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -58.54 -43.12 89.13 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.855 1.262 . . . . 0.0 109.135 177.295 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -63.63 -53.12 56.49 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.308 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.9 mt -53.21 -48.84 67.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.38 1.472 . . . . 0.0 111.015 178.896 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -56.96 -46.17 82.33 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.272 1.396 . . . . 0.0 111.248 177.288 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 m -65.33 -48.78 71.85 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.538 0.735 . . . . 0.0 111.227 178.588 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -58.14 -43.14 87.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.926 0.89 . . . . 0.0 109.863 177.598 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.16 -36.86 85.02 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 117.619 -1.181 . . . . 0.0 109.486 179.02 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.73 86.51 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.473 1.033 . . . . 0.0 109.898 176.316 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -61.76 -47.87 83.22 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.617 0.767 . . . . 0.0 110.078 177.183 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -56.31 -54.79 41.3 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.684 1.994 . . . . 0.0 112.338 177.499 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.1 p -76.12 -32.16 59.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.334 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.45 -22.45 29.16 Favored Glycine 0 CA--C 1.551 2.344 0 CA-C-O 116.849 -2.084 . . . . 0.0 117.166 -179.75 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.0 m -137.54 -29.46 0.87 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 179.933 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.74 -63.54 2.7 Favored Glycine 0 CA--C 1.533 1.216 0 O-C-N 121.312 -0.868 . . . . 0.0 113.991 -177.493 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 p -67.71 -38.12 14.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -177.499 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -64.62 -12.16 32.36 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 122.848 2.365 . . . . 0.0 115.514 177.423 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.5 0 CA-C-N 121.168 1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.52 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -66.6 -57.32 7.47 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -178.472 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -133.88 169.56 16.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.778 0.831 . . . . 0.0 109.993 177.724 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.0 mt -59.86 -43.73 94.53 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.315 -0.865 . . . . 0.0 112.713 -177.388 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m -61.13 -48.99 79.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.537 0.735 . . . . 0.0 111.712 177.754 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -63.16 -32.08 73.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.149 0.431 . . . . 0.0 110.611 177.114 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -44.15 70.34 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.174 -178.673 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.83 -53.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.038 1.335 . . . . 0.0 110.53 176.871 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.18 -43.54 92.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.125 0.97 . . . . 0.0 111.744 177.449 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.41 -46.33 94.08 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 124.99 1.281 . . . . 0.0 110.251 178.397 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.42 -42.51 98.86 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.92 177.518 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.27 -51.05 70.93 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.426 1.466 . . . . 0.0 108.843 176.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.3 -37.2 79.8 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.81 0.814 . . . . 0.0 109.178 -179.251 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.12 -42.25 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 119.051 -2.281 . . . . 0.0 110.423 179.58 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.09 -39.93 93.89 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.8 1.182 . . . . 0.0 108.237 177.577 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.38 -40.88 98.44 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.494 0.718 . . . . 0.0 110.205 176.395 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -61.77 -42.08 98.53 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.484 1.114 . . . . 0.0 108.682 176.604 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -63.46 -44.43 94.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.838 0.745 . . . . 0.0 109.114 177.253 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.57 -45.7 88.48 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 117.525 -1.226 . . . . 0.0 109.923 177.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -57.01 -52.33 65.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.845 1.202 . . . . 0.0 109.944 177.43 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.5 m -60.05 -46.89 88.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.287 1.035 . . . . 0.0 112.965 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -63.43 -42.99 98.69 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.885 -1.135 . . . . 0.0 110.928 177.391 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.8 tp -63.74 -38.84 92.62 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.2 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.96 95.42 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.48 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 m -61.24 -45.98 92.3 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 0.0 110.264 176.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.72 -51.32 60.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.776 0.83 . . . . 0.0 112.953 178.406 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -69.04 -25.34 64.42 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.979 1.312 . . . . 0.0 113.912 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.56 -34.33 5.83 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.451 1.501 . . . . 0.0 115.457 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -123.83 2.52 8.79 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.99 2.219 . . . . 0.0 116.99 -178.422 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.68 -76.53 0.6 Allowed Glycine 0 N--CA 1.48 1.62 0 C-N-CA 124.909 1.243 . . . . 0.0 114.898 -178.546 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.4 p -57.68 -33.87 21.32 Favored Pre-proline 0 CA--C 1.552 1.049 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 178.745 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.39 -8.45 16.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.903 2.402 . . . . 0.0 116.718 177.895 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.397 0 CA-C-N 120.933 1.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 p -56.82 -45.22 82.46 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -177.246 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -150.07 176.08 11.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.149 0.98 . . . . 0.0 111.085 177.439 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.42 -40.88 92.59 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.638 -0.696 . . . . 0.0 112.685 -179.539 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -60.62 -48.69 80.66 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 119.223 0.92 . . . . 0.0 110.549 177.063 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.4 p -65.66 -27.64 68.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.854 0.752 . . . . 0.0 111.612 177.208 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -42.86 70.25 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 121.302 -0.873 . . . . 0.0 108.844 177.004 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.48 -42.87 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 177.648 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -59.23 -46.35 88.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.855 1.262 . . . . 0.0 108.642 177.181 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.56 -42.16 95.9 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.971 1.272 . . . . 0.0 111.097 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.03 -40.43 97.7 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.656 177.017 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 mt -64.83 -41.18 95.95 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.524 1.056 . . . . 0.0 109.461 176.791 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.8 m -63.8 -39.94 95.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.518 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -62.59 -47.62 83.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.801 1.641 . . . . 0.0 109.647 177.194 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.99 -48.68 80.69 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.503 1.047 . . . . 0.0 109.134 177.078 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.11 -43.78 82.64 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.604 1.093 . . . . 0.0 111.439 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -59.39 -43.69 92.91 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.616 1.166 . . . . 0.0 110.192 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -64.0 -52.94 57.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.99 0.916 . . . . 0.0 109.282 177.138 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.91 -48.2 80.58 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.85 1.66 . . . . 0.0 113.287 -176.613 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -55.98 -45.05 79.09 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 120.044 1.293 . . . . 0.0 111.159 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.5 m -67.5 -44.64 77.97 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.004 -1.06 . . . . 0.0 111.223 178.373 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.0 -43.05 91.44 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 120.135 1.334 . . . . 0.0 110.593 177.418 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.3 tp -61.69 -40.56 95.42 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.402 1.481 . . . . 0.0 110.015 177.41 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.9 -45.55 85.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.369 0.668 . . . . 0.0 110.686 176.691 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -60.64 -46.27 90.93 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.21 1.004 . . . . 0.0 109.06 179.232 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.76 -52.19 65.27 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.376 1.47 . . . . 0.0 112.519 179.058 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.2 p -71.38 -34.51 70.49 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -179.811 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.26 -30.85 11.49 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 124.757 1.17 . . . . 0.0 115.326 -177.479 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 m -136.31 -6.48 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -175.43 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.86 -46.87 1.56 Allowed Glycine 0 N--CA 1.48 1.603 0 CA-C-N 120.304 1.411 . . . . 0.0 115.541 -178.36 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 p -73.95 -32.88 1.6 Allowed Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -179.408 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.57 -25.19 65.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 123.134 2.556 . . . . 0.0 116.052 179.504 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.194 0 O-C-N 121.11 -0.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 p -88.07 -24.53 23.41 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -177.539 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -157.33 171.61 20.1 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.271 1.828 . . . . 0.0 109.263 177.451 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.03 -41.81 88.7 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.784 -1.197 . . . . 0.0 112.921 -178.007 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -62.24 -46.7 87.68 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.76 0.709 . . . . 0.0 110.821 177.228 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.1 p -68.63 -20.31 64.47 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.905 0.775 . . . . 0.0 110.275 177.143 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -42.33 60.71 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 120.798 -1.189 . . . . 0.0 107.843 177.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -61.69 -44.56 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 177.349 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.26 -46.68 89.35 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.263 1.425 . . . . 0.0 110.269 177.296 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.68 -44.41 97.96 Favored Glycine 0 N--CA 1.474 1.185 0 C-N-CA 124.87 1.224 . . . . 0.0 111.87 177.377 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.99 -38.58 82.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.264 1.032 . . . . 0.0 110.569 176.843 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.33 -43.34 94.93 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.152 176.659 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -64.33 -36.65 84.83 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 118.871 0.759 . . . . 0.0 111.39 177.224 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -63.11 -52.69 61.61 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.823 1.249 . . . . 0.0 109.242 177.702 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -64.09 -34.32 77.78 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.208 -0.933 . . . . 0.0 110.925 177.345 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.5 mt -64.8 -39.48 93.67 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.842 1.201 . . . . 0.0 109.32 177.805 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -63.97 -42.45 97.26 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.473 0.579 . . . . 0.0 109.939 176.871 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.02 -48.64 80.83 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 123.59 0.756 . . . . 0.0 109.704 176.606 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.25 -48.81 70.73 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.605 1.562 . . . . 0.0 111.038 177.761 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.39 -43.95 97.98 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 119.252 0.933 . . . . 0.0 111.401 177.902 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.5 m -62.61 -45.84 91.05 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.507 -1.371 . . . . 0.0 110.677 176.577 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -66.31 -31.9 72.97 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.803 -1.185 . . . . 0.0 111.739 177.265 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.48 -42.14 96.06 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.98 1.264 . . . . 0.0 108.684 176.902 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.06 89.62 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.179 0.592 . . . . 0.0 109.549 177.146 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -64.46 -41.4 96.54 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.1 0.96 . . . . 0.0 110.614 176.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -66.02 -49.43 67.74 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.982 1.713 . . . . 0.0 111.717 177.376 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -72.73 -32.67 65.87 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.755 0.822 . . . . 0.0 113.138 -179.763 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.41 -13.74 56.71 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.012 1.291 . . . . 0.0 114.493 -176.819 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.9 m -146.99 -51.09 0.2 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.398 1.599 . . . . 0.0 113.536 177.73 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.74 -53.73 16.4 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 116.372 1.309 . . . . 0.0 116.372 -177.563 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.4 p -87.13 -43.25 0.53 Allowed Pre-proline 0 N--CA 1.477 0.899 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 -177.774 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.85 -13.79 14.19 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 CA-C-N 123.248 2.196 . . . . 0.0 114.978 179.664 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.33 0 CA-C-N 120.262 1.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 p -71.06 -53.9 13.05 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.349 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -139.77 173.48 11.48 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.953 1.301 . . . . 0.0 109.94 177.416 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.12 -44.23 97.1 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.511 -1.368 . . . . 0.0 113.293 -177.507 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -63.09 -44.16 96.49 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 117.774 -1.107 . . . . 0.0 110.88 176.874 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -66.94 -28.57 68.4 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 120.146 1.339 . . . . 0.0 110.947 176.903 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.34 -42.8 82.94 Favored 'General case' 0 C--N 1.344 0.334 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 177.621 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.07 -43.13 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.34 -41.67 80.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.457 1.503 . . . . 0.0 108.116 177.188 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.27 96.42 Favored Glycine 0 CA--C 1.546 2.027 0 N-CA-C 108.052 -2.019 . . . . 0.0 108.052 178.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.25 -37.91 87.27 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.585 1.192 . . . . 0.0 109.699 177.43 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.84 -46.86 87.65 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.164 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m -60.09 -35.79 75.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.005 0.522 . . . . 0.0 110.498 177.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -69.75 -44.17 70.75 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.407 1.083 . . . . 0.0 111.333 177.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -64.05 -38.9 92.74 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.025 1.284 . . . . 0.0 109.646 175.518 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.37 -43.1 95.59 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 176.936 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -63.15 -36.55 83.99 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.873 0.869 . . . . 0.0 110.702 177.16 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.89 -47.41 85.89 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.568 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.76 -45.5 94.08 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.707 177.034 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -58.35 -46.65 85.85 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.369 0.986 . . . . 0.0 111.808 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.7 m -58.05 -56.0 27.66 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.453 1.101 . . . . 0.0 109.893 178.34 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -66.68 -28.39 68.41 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.222 0.919 . . . . 0.0 112.701 179.55 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.4 tp -69.36 -34.82 75.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.928 1.24 . . . . 0.0 108.049 176.687 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.69 78.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.638 1.175 . . . . 0.0 108.09 176.579 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.2 m -62.01 -41.41 98.04 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.366 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.25 -55.42 21.62 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.721 1.608 . . . . 0.0 111.597 177.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 p -69.9 -28.4 65.59 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.58 1.152 . . . . 0.0 113.811 -178.103 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -27.01 13.79 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-N 119.202 0.91 . . . . 0.0 115.075 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -137.05 -47.44 0.59 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.901 1.35 . . . . 0.0 113.477 -177.85 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.53 -14.09 26.45 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.69 1.614 . . . . 0.0 117.021 -177.941 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.2 p -123.79 -45.76 0.04 OUTLIER Pre-proline 0 N--CA 1.472 0.633 0 CA-C-O 116.975 -1.488 . . . . 0.0 113.385 176.806 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -72.78 -13.89 26.87 Favored 'Trans proline' 0 CA--C 1.553 1.433 0 CA-C-N 123.033 2.119 . . . . 0.0 114.817 176.78 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.115 0 CA-C-N 119.873 1.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.8 p . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -67.68 -35.09 78.21 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 117.156 2.28 . . . . 0.0 117.156 -177.107 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -157.86 174.8 14.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.301 1.441 . . . . 0.0 110.815 178.011 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -56.56 -50.84 70.72 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 120.762 -1.211 . . . . 0.0 112.636 179.051 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -60.63 -43.81 97.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 117.638 -1.173 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 p -67.39 -29.29 68.76 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.897 1.68 . . . . 0.0 110.49 177.679 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -40.9 80.44 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 119.847 1.203 . . . . 0.0 108.336 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.65 -42.36 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 O-C-N 120.418 -1.426 . . . . 0.0 108.003 177.26 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -61.68 -36.97 82.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.077 1.351 . . . . 0.0 107.925 177.854 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -43.31 86.8 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 127.113 2.292 . . . . 0.0 109.528 178.185 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -59.31 -52.38 65.9 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.214 1.507 . . . . 0.0 108.342 177.368 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.74 -41.54 91.17 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.228 0.467 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.1 m -60.73 -42.61 97.65 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.457 0.703 . . . . 0.0 110.861 177.198 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -69.22 -37.33 78.0 Favored 'General case' 0 C--N 1.347 0.462 0 CA-C-O 117.98 -1.009 . . . . 0.0 111.504 177.297 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.47 -39.95 92.58 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.237 1.381 . . . . 0.0 107.725 176.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.98 -41.12 97.63 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 120.616 -1.302 . . . . 0.0 107.898 176.069 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.37 -38.39 89.38 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.151 0.98 . . . . 0.0 109.965 178.098 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.51 -46.72 87.16 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 176.577 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.06 -39.01 88.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.799 -1.096 . . . . 0.0 110.901 176.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -60.74 -47.77 84.8 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.247 1.385 . . . . 0.0 109.418 176.604 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.0 m -61.93 -55.06 33.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 177.222 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -59.72 -36.21 76.11 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.851 0.86 . . . . 0.0 112.829 179.11 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 tp -70.35 -33.98 72.1 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.505 1.048 . . . . 0.0 108.671 177.532 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.19 -42.09 89.33 Favored 'General case' 0 C--N 1.35 0.607 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 176.722 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -63.08 -43.12 99.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.283 1.033 . . . . 0.0 109.651 177.705 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.27 -53.7 53.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.33 1.452 . . . . 0.0 112.397 176.167 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -69.96 -36.15 75.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.647 1.179 . . . . 0.0 113.656 -177.974 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.53 -4.18 58.26 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.788 1.475 . . . . 0.0 116.788 -178.045 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.6 m -152.67 -42.84 0.1 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.75 1.775 . . . . 0.0 114.791 177.063 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.45 96.39 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.004 1.288 . . . . 0.0 115.66 -177.217 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.3 p -95.88 -39.37 0.28 Allowed Pre-proline 0 N--CA 1.479 0.986 0 CA-C-O 116.288 -1.815 . . . . 0.0 114.414 177.371 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -66.05 -17.26 54.84 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 C-N-CA 123.975 3.117 . . . . 0.0 114.704 176.383 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.315 0 CA-C-N 120.984 1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 p -56.29 -58.94 5.84 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -176.925 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -137.91 170.09 16.66 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.132 0.878 . . . . 0.0 110.747 176.856 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -42.22 90.44 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -177.267 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -62.71 -47.27 84.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.835 1.198 . . . . 0.0 111.314 177.229 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p -65.76 -30.39 71.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.303 -0.873 . . . . 0.0 110.771 177.184 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -46.89 73.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.532 0.733 . . . . 0.0 109.831 177.157 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.11 -48.52 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 118.301 -0.857 . . . . 0.0 108.908 177.234 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.7 tp -55.55 -41.61 73.49 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.84 0.746 . . . . 0.0 110.691 177.69 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.82 93.18 Favored Glycine 0 N--CA 1.477 1.374 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 177.043 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -64.17 -41.37 97.17 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.465 178.341 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 mt -61.01 -43.93 98.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.541 1.064 . . . . 0.0 109.282 177.033 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.6 m -62.72 -34.06 76.39 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.381 0.672 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -70.98 -40.57 71.84 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.106 0.962 . . . . 0.0 110.615 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -64.96 -38.17 90.09 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 120.62 1.555 . . . . 0.0 108.279 175.886 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 mt -63.99 -42.6 97.16 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.375 1.07 . . . . 0.0 108.897 176.499 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -61.56 -42.53 98.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.831 1.252 . . . . 0.0 109.677 176.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -60.17 -50.95 71.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.357 1.063 . . . . 0.0 108.582 176.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.21 -47.53 78.2 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.467 1.107 . . . . 0.0 110.785 177.418 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -58.24 -50.14 74.62 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.62 1.1 . . . . 0.0 111.503 177.4 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -61.28 -54.01 49.5 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.701 0.801 . . . . 0.0 111.033 177.242 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -63.87 -28.7 70.02 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 118.144 -0.931 . . . . 0.0 112.578 -178.44 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 tp -68.04 -38.44 82.51 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 177.62 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -42.02 89.84 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.688 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.6 m -61.84 -45.52 93.45 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.565 -0.709 . . . . 0.0 109.337 177.264 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.71 -51.01 71.19 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.314 -1.491 . . . . 0.0 112.364 177.452 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 p -72.28 -29.02 63.48 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -177.911 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.57 -19.89 8.06 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -178.097 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -129.52 -34.66 1.78 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 -178.937 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.33 -59.99 3.41 Favored Glycine 0 N--CA 1.471 0.995 0 C-N-CA 125.346 1.451 . . . . 0.0 113.773 -179.338 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.0 p -72.12 -42.35 9.4 Favored Pre-proline 0 N--CA 1.472 0.644 0 CA-C-O 116.227 -1.844 . . . . 0.0 114.051 178.202 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -74.82 1.09 8.01 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.896 2.397 . . . . 0.0 114.961 177.292 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 120.567 1.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 117.889 -1.053 . . . . 0.0 108.652 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -80.83 -54.61 5.45 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 120.294 1.406 . . . . 0.0 114.573 -177.463 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -136.16 173.56 11.58 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.8 1.24 . . . . 0.0 110.189 -178.505 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -56.38 -50.79 70.56 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.298 -1.501 . . . . 0.0 112.293 -177.835 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -60.16 -45.97 91.25 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.367 0.985 . . . . 0.0 111.257 -179.369 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -64.84 -30.34 71.34 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.664 -1.272 . . . . 0.0 110.569 176.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -38.76 73.68 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.448 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.56 -49.7 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 176.521 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.33 -28.67 70.16 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 121.605 -0.684 . . . . 0.0 109.985 179.204 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.83 -44.97 60.13 Favored Glycine 0 N--CA 1.477 1.395 0 C-N-CA 126.984 2.231 . . . . 0.0 108.543 176.774 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.43 -45.61 83.17 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.01 -44.61 91.73 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.016 177.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -60.7 -38.74 86.04 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.126 0.97 . . . . 0.0 111.047 175.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -67.3 -41.95 84.53 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.854 1.262 . . . . 0.0 109.306 178.013 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.32 -42.03 99.04 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.253 1.388 . . . . 0.0 108.493 176.743 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.1 -44.13 97.83 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.825 -1.172 . . . . 0.0 109.499 176.625 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -62.47 -37.43 85.92 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 179.016 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.01 -50.31 71.24 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 177.149 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.84 -47.69 79.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.118 0.967 . . . . 0.0 110.792 178.053 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.35 -38.36 74.03 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.156 0.889 . . . . 0.0 111.439 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -54.2 17.85 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.704 0.801 . . . . 0.0 109.984 176.859 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -57.73 -28.85 64.25 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.911 1.684 . . . . 0.0 113.222 179.088 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.25 -44.9 93.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.7 1.2 . . . . 0.0 109.091 176.583 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.57 -43.55 69.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.625 1.17 . . . . 0.0 108.972 177.532 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.9 m -58.75 -43.12 90.18 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.404 -0.81 . . . . 0.0 110.021 177.729 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -61.4 -53.56 54.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.793 1.637 . . . . 0.0 111.168 177.803 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.6 p -72.13 -23.5 61.32 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -177.326 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.97 -25.17 6.26 Favored Glycine 0 N--CA 1.474 1.172 0 N-CA-C 117.617 1.807 . . . . 0.0 117.617 179.852 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 m -137.77 -23.5 1.06 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.412 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.7 -54.32 3.3 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-N 120.234 1.379 . . . . 0.0 114.09 -178.709 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.6 p -53.16 -43.72 95.54 Favored Pre-proline 0 N--CA 1.481 1.091 0 CA-C-O 116.296 -1.812 . . . . 0.0 114.804 178.903 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.33 -9.05 18.85 Favored 'Trans proline' 0 CA--C 1.562 1.921 0 C-N-CA 122.637 2.224 . . . . 0.0 113.064 177.695 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.033 0 O-C-N 118.583 -2.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 p -59.56 -60.5 3.75 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.763 1.625 . . . . 0.0 115.012 -177.576 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -129.24 157.84 40.72 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.251 -0.906 . . . . 0.0 111.247 178.291 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.0 mt -55.75 -54.0 49.8 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.788 1.235 . . . . 0.0 113.773 -177.52 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -54.0 -53.44 52.9 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.59 1.156 . . . . 0.0 112.375 -178.338 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.7 p -65.36 -29.71 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 119.179 -0.439 . . . . 0.0 111.757 176.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.68 -39.84 95.2 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.866 0.757 . . . . 0.0 111.186 177.228 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.48 -45.84 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.591 1.087 . . . . 0.0 109.439 177.391 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.43 -41.08 88.75 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.443 1.097 . . . . 0.0 111.12 176.751 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.8 89.04 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.171 1.367 . . . . 0.0 110.393 178.339 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -59.86 -49.45 77.64 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.547 1.139 . . . . 0.0 109.787 177.178 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.38 -43.58 75.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.507 0.723 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -62.52 -41.18 98.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.624 0.77 . . . . 0.0 111.641 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -67.9 -42.69 80.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.555 1.142 . . . . 0.0 110.676 177.794 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.3 -36.92 85.68 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.007 -1.058 . . . . 0.0 109.079 176.939 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.46 -41.55 93.26 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.562 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -62.89 -34.6 77.74 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 119.888 -1.757 . . . . 0.0 109.895 177.093 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -65.78 -45.64 81.7 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 119.491 -2.006 . . . . 0.0 106.967 176.883 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -59.56 -41.12 89.43 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.244 1.384 . . . . 0.0 109.865 177.077 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -63.2 -37.87 88.93 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.457 1.026 . . . . 0.0 110.606 176.294 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -65.51 -49.89 67.28 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.237 -1.539 . . . . 0.0 109.658 176.118 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -56.54 -42.34 78.31 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 124.19 0.996 . . . . 0.0 109.582 178.001 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.4 -39.64 92.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.244 1.418 . . . . 0.0 107.365 -178.025 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -47.66 75.88 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 119.384 0.993 . . . . 0.0 109.464 177.377 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -59.31 -45.95 89.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.78 0.832 . . . . 0.0 109.493 178.135 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -60.26 -57.15 14.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.741 1.616 . . . . 0.0 112.095 177.985 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -69.08 -25.9 64.67 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -177.872 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.33 7.5 Favored Glycine 0 CA--C 1.535 1.306 0 N-CA-C 115.866 1.106 . . . . 0.0 115.866 -177.435 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -134.18 -40.51 0.83 Allowed 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -176.944 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.84 -31.8 64.41 Favored Glycine 0 N--CA 1.477 1.425 0 CA-C-O 118.907 -0.941 . . . . 0.0 115.426 -177.787 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 p -79.3 -47.32 1.59 Allowed Pre-proline 0 N--CA 1.473 0.721 0 CA-C-O 115.714 -2.089 . . . . 0.0 112.325 178.025 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -64.03 -32.18 65.0 Favored 'Trans proline' 0 CA--C 1.555 1.531 0 C-N-CA 122.471 2.114 . . . . 0.0 112.701 176.153 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.814 0 CA-C-N 120.355 1.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -60.83 -46.22 91.41 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -177.104 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -148.3 174.02 12.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.012 0.925 . . . . 0.0 111.221 177.474 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.19 -49.21 77.82 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.391 -0.818 . . . . 0.0 111.613 -177.527 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -60.56 -45.39 94.09 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.809 1.244 . . . . 0.0 111.336 179.681 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 p -66.15 -31.17 71.86 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 119.166 0.893 . . . . 0.0 111.257 177.011 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -46.61 68.61 Favored 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.537 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.61 -52.14 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 117.889 -1.053 . . . . 0.0 109.888 178.393 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.93 -40.46 76.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 120.004 1.275 . . . . 0.0 110.784 177.986 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.02 -50.08 62.99 Favored Glycine 0 CA--C 1.554 2.484 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.18 -51.51 69.27 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 109.03 177.495 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.0 mt -52.62 -46.0 66.84 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.431 1.469 . . . . 0.0 111.152 178.565 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -63.13 -41.12 99.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.916 0.887 . . . . 0.0 111.134 177.308 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.98 -40.67 91.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.217 1.007 . . . . 0.0 110.721 177.224 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.03 -43.64 91.72 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.328 1.051 . . . . 0.0 108.909 177.389 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.99 -42.73 94.86 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.33 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -61.42 -40.04 92.96 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 124.299 1.039 . . . . 0.0 109.741 177.314 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.59 -42.66 99.18 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 117.817 -1.087 . . . . 0.0 108.608 177.527 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.29 -43.03 92.62 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.966 0.803 . . . . 0.0 109.823 177.904 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -55.39 -51.05 68.09 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -64.74 -47.19 79.13 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.153 0.981 . . . . 0.0 109.354 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -54.4 -44.08 72.03 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.348 1.059 . . . . 0.0 111.83 177.719 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.05 -50.21 74.94 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.154 0.982 . . . . 0.0 109.386 178.32 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.79 98.24 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.877 0.471 . . . . 0.0 112.057 177.969 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -62.57 -37.93 88.11 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.289 -0.882 . . . . 0.0 110.354 177.078 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -64.39 -48.4 75.57 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.952 -1.717 . . . . 0.0 112.445 178.0 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -76.42 -31.81 58.13 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.34 1.427 . . . . 0.0 113.826 177.992 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.91 -7.97 54.69 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 118.051 1.98 . . . . 0.0 118.051 -176.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -146.4 -36.74 0.25 Allowed 'General case' 0 C--O 1.226 -0.156 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 178.381 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.91 -61.68 3.01 Favored Glycine 0 N--CA 1.467 0.725 0 CA-C-N 119.281 0.946 . . . . 0.0 113.988 -178.705 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.7 p -70.08 -37.04 6.9 Favored Pre-proline 0 N--CA 1.479 0.988 0 CA-C-O 116.096 -1.907 . . . . 0.0 115.157 -176.767 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -63.68 -28.92 69.17 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 CA-C-N 123.735 2.37 . . . . 0.0 113.761 177.291 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.24 0 CA-C-N 120.052 1.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 118.166 -0.921 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.6 p -61.1 -35.78 77.92 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -178.898 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -159.51 172.18 18.34 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.924 1.29 . . . . 0.0 110.98 178.883 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.24 -42.65 91.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 179.903 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -61.22 -45.57 94.02 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.877 177.509 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -65.38 -28.59 69.37 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.91 1.686 . . . . 0.0 110.248 177.457 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -43.93 70.17 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.609 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.86 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 120.042 1.292 . . . . 0.0 108.085 177.535 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -59.8 -43.33 94.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.734 1.614 . . . . 0.0 108.203 178.05 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.44 -44.92 92.39 Favored Glycine 0 CA--C 1.54 1.635 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 178.308 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -58.35 -53.62 56.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.09 -1.433 . . . . 0.0 110.033 176.864 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -53.77 -46.7 71.05 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.211 1.368 . . . . 0.0 110.946 176.807 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.6 m -62.0 -36.79 82.57 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.404 178.163 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -75.76 -29.27 58.77 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -69.55 -36.82 76.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 177.298 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.45 -39.68 85.36 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 176.484 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -66.02 -35.27 80.09 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 119.55 1.068 . . . . 0.0 108.823 176.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -65.04 -41.78 94.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 -179.189 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.92 -42.09 88.86 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 177.958 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -61.37 -47.92 83.63 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.586 -1.321 . . . . 0.0 108.645 -179.422 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.0 m -60.99 -48.83 79.99 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 124.85 1.26 . . . . 0.0 110.759 176.233 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -61.22 -42.95 99.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.565 1.546 . . . . 0.0 110.894 178.168 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.6 -41.27 97.21 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.294 1.406 . . . . 0.0 109.024 177.416 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.99 -38.1 87.64 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.051 0.841 . . . . 0.0 109.909 177.649 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.1 m -66.94 -47.05 72.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.195 0.998 . . . . 0.0 110.149 177.506 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -59.05 -55.41 35.44 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 128.718 2.807 . . . . 0.0 111.972 177.616 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.9 p -70.77 -36.66 73.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.8 -40.77 8.59 Favored Glycine 0 CA--C 1.554 2.473 0 N-CA-C 120.043 2.777 . . . . 0.0 120.043 179.243 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.2 m -125.38 -22.81 4.25 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -177.181 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.16 -3.6 65.27 Favored Glycine 0 CA--C 1.551 2.325 0 N-CA-C 119.159 2.424 . . . . 0.0 119.159 -177.583 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.2 p -134.85 -40.07 0.02 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 CA-C-O 114.601 -2.619 . . . . 0.0 116.766 178.469 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.85 -37.4 93.96 Favored 'Trans proline' 0 CA--C 1.558 1.706 0 CA-C-N 123.102 2.144 . . . . 0.0 113.868 179.316 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.395 0 CA-C-N 119.988 1.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 p -56.98 -44.14 82.39 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -177.147 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -153.97 175.82 12.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.85 1.26 . . . . 0.0 111.334 178.788 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.15 -49.73 76.48 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.274 0.63 . . . . 0.0 112.588 -178.362 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -56.55 -47.69 78.91 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.88 1.272 . . . . 0.0 111.736 178.328 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.8 p -65.15 -32.65 74.45 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.786 1.176 . . . . 0.0 110.056 178.366 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -40.91 85.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.801 0.84 . . . . 0.0 109.915 177.193 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.71 -50.67 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 125.2 1.4 . . . . 0.0 108.159 177.71 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 tp -53.86 -51.38 63.81 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.627 1.571 . . . . 0.0 110.803 177.268 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.96 98.69 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 117.944 -1.476 . . . . 0.0 112.682 178.216 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.29 -43.6 97.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 116.46 -1.733 . . . . 0.0 110.987 177.039 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -58.92 -39.57 81.93 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 117.236 -1.364 . . . . 0.0 107.892 178.355 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.9 m -66.79 -35.91 81.17 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-O 116.053 -1.927 . . . . 0.0 107.534 -177.664 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -71.97 -33.11 67.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.475 1.489 . . . . 0.0 110.405 177.575 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -68.91 -38.58 79.68 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.051 1.751 . . . . 0.0 106.616 177.697 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.7 mt -66.9 -36.35 82.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.192 1.397 . . . . 0.0 108.014 177.642 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -65.52 -40.24 92.72 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.124 -1.61 . . . . 0.0 108.048 179.066 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.91 -45.25 94.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.227 177.188 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.29 -40.39 81.81 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.239 1.016 . . . . 0.0 109.753 176.856 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -65.2 -40.27 93.96 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.601 1.091 . . . . 0.0 108.21 178.07 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -64.12 -46.21 85.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.06 -1.025 . . . . 0.0 108.804 178.103 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -57.9 -43.84 86.4 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.577 1.08 . . . . 0.0 110.87 177.658 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.82 -39.43 94.27 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.3 176.971 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.49 83.99 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.644 1.111 . . . . 0.0 109.599 177.066 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.3 m -66.54 -41.59 88.49 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.679 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.51 -52.86 61.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.389 1.076 . . . . 0.0 113.092 178.003 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.3 p -65.54 -43.66 89.23 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -179.34 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.55 -24.47 12.21 Favored Glycine 0 CA--C 1.54 1.598 0 N-CA-C 117.992 1.957 . . . . 0.0 117.992 -177.578 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -123.67 -14.67 7.22 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 118.188 2.662 . . . . 0.0 118.188 -178.971 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.22 -34.51 2.51 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 120.009 2.763 . . . . 0.0 120.009 177.693 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.5 p -89.78 -27.41 0.32 Allowed Pre-proline 0 CA--C 1.553 1.063 0 N-CA-C 119.414 3.116 . . . . 0.0 119.414 179.532 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -66.24 -19.7 56.22 Favored 'Trans proline' 0 CA--C 1.553 1.425 0 C-N-CA 123.402 2.735 . . . . 0.0 114.42 175.548 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.378 1.811 0 CA-C-N 121.659 2.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 118.178 -0.915 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -64.09 -45.34 89.14 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -176.116 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -150.18 173.18 14.21 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.72 -1.237 . . . . 0.0 110.779 177.561 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.54 -48.96 76.18 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.072 0.851 . . . . 0.0 113.032 -178.129 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -56.98 -49.53 75.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.666 1.187 . . . . 0.0 112.196 177.795 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.8 p -67.34 -31.26 71.41 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 118.744 0.702 . . . . 0.0 110.561 177.449 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -38.23 86.7 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.981 0.81 . . . . 0.0 110.136 176.632 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.11 -44.99 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.904 1.229 . . . . 0.0 109.25 176.552 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -63.62 -44.75 93.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.347 0.659 . . . . 0.0 110.776 177.508 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.11 -50.41 66.4 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 124.726 1.155 . . . . 0.0 111.248 176.311 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.69 -47.42 84.58 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.727 1.211 . . . . 0.0 110.516 176.816 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.6 -50.97 64.5 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.883 1.22 . . . . 0.0 109.455 177.618 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.6 m -64.96 -34.33 78.16 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.717 178.619 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -71.7 -35.01 70.11 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.163 1.347 . . . . 0.0 110.36 176.906 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -68.94 -39.29 79.65 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.234 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.58 -34.7 78.86 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.719 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -62.77 -46.22 89.02 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.494 -1.379 . . . . 0.0 108.393 175.847 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.03 -47.72 84.2 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.807 0.843 . . . . 0.0 109.127 176.803 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.61 -46.74 77.29 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 117.538 -1.22 . . . . 0.0 109.997 177.369 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.43 -38.01 88.08 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.211 0.914 . . . . 0.0 110.213 177.206 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -62.92 -47.38 83.5 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 119.895 1.225 . . . . 0.0 109.71 178.067 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -60.95 -52.23 65.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.02 0.928 . . . . 0.0 111.219 177.444 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.7 mt -60.48 -43.03 97.38 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.857 1.263 . . . . 0.0 112.502 179.348 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.88 -41.66 99.49 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.802 0.841 . . . . 0.0 110.402 177.429 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -65.47 -45.0 85.42 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.847 0.459 . . . . 0.0 110.651 177.115 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.0 -49.51 75.76 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 112.833 178.272 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.6 p -72.35 -45.55 59.4 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.338 1.055 . . . . 0.0 112.873 179.098 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.5 -16.55 80.19 Favored Glycine 0 CA--C 1.544 1.854 0 N-CA-C 116.31 1.284 . . . . 0.0 116.31 -177.548 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 m -153.69 -37.71 0.1 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 178.199 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.39 -16.62 63.04 Favored Glycine 0 CA--C 1.543 1.819 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 -177.507 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.8 p -110.66 -45.09 0.09 OUTLIER Pre-proline 0 CA--C 1.553 1.068 0 CA-C-O 116.563 -1.684 . . . . 0.0 112.648 179.665 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.78 -14.95 40.12 Favored 'Trans proline' 0 CA--C 1.56 1.815 0 C-N-CA 123.033 2.489 . . . . 0.0 113.172 179.83 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.056 0 CA-C-N 120.295 1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -61.41 -56.85 15.63 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -177.325 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -140.95 174.21 10.73 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.786 1.234 . . . . 0.0 111.216 177.654 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.37 -48.88 79.95 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.256 -0.902 . . . . 0.0 112.933 -177.522 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -58.06 -47.91 81.73 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.618 -0.706 . . . . 0.0 111.686 177.265 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -66.04 -28.1 68.6 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.695 1.134 . . . . 0.0 110.754 177.026 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -41.99 79.12 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.168 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.94 -41.59 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 177.272 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.07 -41.01 97.71 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.469 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.0 -47.02 92.21 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 107.611 -2.196 . . . . 0.0 107.611 178.618 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.41 -42.96 99.57 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 116.68 -1.628 . . . . 0.0 108.581 178.965 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.2 mt -60.48 -44.78 95.58 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.859 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.42 -36.19 81.59 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.916 -0.564 . . . . 0.0 110.857 176.873 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -69.1 -39.62 78.87 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.797 1.239 . . . . 0.0 109.353 176.734 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.48 -39.4 85.23 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 179.352 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.26 -43.93 95.73 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.375 1.07 . . . . 0.0 109.418 175.48 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.49 -39.59 93.95 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 124.474 1.109 . . . . 0.0 110.664 177.138 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -61.72 -43.7 98.34 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.954 -1.091 . . . . 0.0 109.126 176.821 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.11 -47.86 81.95 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.783 0.72 . . . . 0.0 109.73 177.379 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.52 -40.47 87.24 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.583 0.629 . . . . 0.0 111.331 177.227 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.9 m -64.58 -48.16 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.037 1.335 . . . . 0.0 111.123 178.093 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -59.13 -52.07 67.32 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.514 1.126 . . . . 0.0 109.785 177.276 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -54.65 -54.41 41.99 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.948 1.299 . . . . 0.0 112.277 178.815 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.47 70.49 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 178.04 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.6 m -70.42 -39.82 74.18 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.552 -0.717 . . . . 0.0 110.438 177.394 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.79 -45.57 74.41 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.07 1.348 . . . . 0.0 112.905 179.819 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.9 p -71.8 -20.54 61.84 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.359 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.82 -72.7 1.19 Allowed Glycine 0 CA--C 1.551 2.305 0 C-N-CA 124.324 0.964 . . . . 0.0 113.11 178.615 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -97.64 -19.72 18.1 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.4 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.14 -23.26 59.43 Favored Glycine 0 N--CA 1.478 1.48 0 N-CA-C 117.811 1.884 . . . . 0.0 117.811 -177.183 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.96 -49.8 0.21 Allowed Pre-proline 0 CA--C 1.555 1.171 0 CA-C-O 115.941 -1.98 . . . . 0.0 115.485 -177.566 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -65.53 -19.96 60.56 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.355 2.037 . . . . 0.0 115.92 -178.931 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.325 0 CA-C-N 119.645 1.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 p -73.71 -41.73 62.17 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 -177.758 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -152.25 176.88 11.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.272 1.429 . . . . 0.0 110.766 -177.36 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.7 mt -55.9 -51.39 67.78 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.68 -179.754 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -55.15 -49.93 70.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.887 0.875 . . . . 0.0 112.028 -179.224 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.5 p -64.53 -31.17 72.27 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.874 0.761 . . . . 0.0 110.635 178.683 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -39.0 84.9 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.278 -0.889 . . . . 0.0 109.783 176.88 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 t -64.3 -47.16 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 119.622 1.101 . . . . 0.0 108.662 177.37 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -56.43 -41.6 76.68 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.521 1.128 . . . . 0.0 112.31 177.023 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.75 48.22 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.09 0.852 . . . . 0.0 111.502 176.519 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.93 -44.62 87.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.498 1.119 . . . . 0.0 111.142 177.842 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.38 -46.24 91.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.541 0.737 . . . . 0.0 109.487 177.374 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.1 m -58.27 -38.07 76.23 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.762 0.825 . . . . 0.0 110.906 177.379 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -66.98 -42.51 84.96 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.498 0.719 . . . . 0.0 109.734 177.87 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -64.22 -39.66 94.44 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.772 -1.205 . . . . 0.0 109.577 177.497 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.05 -43.99 94.99 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.082 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.74 -41.3 99.12 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.972 178.994 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.55 -46.69 88.17 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.748 1.158 . . . . 0.0 110.294 177.132 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -57.98 -43.33 86.45 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 110.94 176.288 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.18 -41.21 99.17 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.404 0.682 . . . . 0.0 110.969 177.354 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 m -64.13 -45.15 89.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.936 0.789 . . . . 0.0 110.736 176.752 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -60.32 -51.42 69.59 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 123.18 0.592 . . . . 0.0 110.382 177.26 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.9 mt -59.13 -44.63 92.04 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.017 1.327 . . . . 0.0 112.84 178.656 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.99 87.72 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 118.858 0.754 . . . . 0.0 110.92 176.758 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 m -72.67 -33.13 66.34 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.095 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.47 -44.04 92.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.09 1.356 . . . . 0.0 111.621 176.915 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -76.61 -34.79 58.35 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 118.715 0.688 . . . . 0.0 111.582 177.727 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.58 -25.21 59.13 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 115.455 0.942 . . . . 0.0 115.455 -179.174 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.3 m -152.11 -37.73 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.92 1.86 . . . . 0.0 114.379 -178.726 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.88 -31.54 72.33 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 116.247 1.259 . . . . 0.0 116.247 -176.865 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.7 p -102.32 -41.9 0.2 Allowed Pre-proline 0 N--CA 1.483 1.201 0 CA-C-O 116.384 -1.77 . . . . 0.0 112.758 178.802 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -69.83 -6.2 18.06 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.766 2.31 . . . . 0.0 114.326 178.236 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 120.198 1.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 117.858 -1.068 . . . . 0.0 108.46 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -72.67 -28.66 62.84 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 116.577 2.065 . . . . 0.0 116.577 -177.247 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -161.71 175.91 11.5 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.219 1.807 . . . . 0.0 110.066 175.583 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.56 -49.07 77.58 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.407 -0.808 . . . . 0.0 112.957 178.735 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -57.64 -48.21 80.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.661 0.784 . . . . 0.0 110.974 178.505 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -65.1 -29.54 70.41 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.723 177.72 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -44.64 78.59 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 119.992 1.269 . . . . 0.0 109.106 177.339 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.6 -42.11 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.747 -1.221 . . . . 0.0 108.479 176.781 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.24 -40.64 94.77 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.985 -1.072 . . . . 0.0 109.268 176.81 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.33 98.15 Favored Glycine 0 CA--C 1.541 1.658 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 177.115 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -47.42 84.79 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.951 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.1 mt -58.8 -44.5 90.8 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.226 1.01 . . . . 0.0 110.559 176.939 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -56.9 -44.85 82.78 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.145 0.978 . . . . 0.0 111.723 175.515 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -63.05 -49.46 74.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.291 1.436 . . . . 0.0 111.135 177.275 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -61.47 -42.41 98.74 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.227 0.921 . . . . 0.0 110.553 177.062 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.61 -38.55 88.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.148 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -65.71 -41.48 92.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -178.561 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.65 -51.85 68.05 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 119.127 0.876 . . . . 0.0 109.009 176.377 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.74 -47.6 79.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.739 0.816 . . . . 0.0 110.677 177.209 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -60.72 -37.41 81.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.315 1.046 . . . . 0.0 110.944 177.345 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.5 m -67.16 -47.73 70.12 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.487 1.515 . . . . 0.0 109.343 177.284 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -60.47 -44.9 95.41 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.413 -0.804 . . . . 0.0 109.822 177.436 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -58.92 -52.67 64.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.966 1.306 . . . . 0.0 110.472 177.161 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.36 78.44 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.98 0.895 . . . . 0.0 112.68 177.434 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -67.92 -38.65 83.16 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 176.672 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.18 -42.0 80.62 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.283 -1.511 . . . . 0.0 111.501 178.056 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -72.16 -36.13 69.21 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.958 1.254 . . . . 0.0 113.319 178.057 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.81 -16.45 51.63 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.199 1.64 . . . . 0.0 117.199 -179.134 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -139.48 -48.87 0.48 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.079 1.352 . . . . 0.0 114.644 178.525 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.27 -42.94 74.89 Favored Glycine 0 N--CA 1.47 0.941 0 N-CA-C 117.774 1.87 . . . . 0.0 117.774 -177.987 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 p -92.28 -43.9 0.35 Allowed Pre-proline 0 N--CA 1.489 1.516 0 CA-C-O 116.663 -1.637 . . . . 0.0 114.361 177.949 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -60.17 -26.03 81.48 Favored 'Trans proline' 0 CA--C 1.57 2.31 0 C-N-CA 123.716 2.944 . . . . 0.0 115.85 175.895 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 120.561 -1.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -70.64 -26.17 63.34 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -176.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -161.48 177.04 10.44 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.036 1.735 . . . . 0.0 110.169 176.976 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.83 -44.75 93.88 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.273 -0.892 . . . . 0.0 112.269 179.299 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -62.08 -45.52 93.16 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.167 0.894 . . . . 0.0 111.213 177.431 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.5 p -63.61 -28.91 70.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.678 1.581 . . . . 0.0 110.683 177.107 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.62 71.27 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.144 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.75 -45.15 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 124.627 1.171 . . . . 0.0 108.527 177.04 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.0 -41.93 97.46 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.831 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.8 97.68 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 124.764 1.173 . . . . 0.0 110.421 178.308 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.16 -45.61 87.67 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 176.577 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.78 -38.95 79.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.709 176.851 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 m -60.17 -40.2 89.08 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 120.284 1.402 . . . . 0.0 110.149 176.934 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -69.32 -39.62 78.11 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.006 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -61.93 -37.93 86.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.584 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.73 -42.14 98.57 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 176.82 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -63.19 -38.66 92.04 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.79 -0.569 . . . . 0.0 109.712 177.092 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.86 -45.02 87.81 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.254 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.75 -45.3 86.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.316 1.446 . . . . 0.0 109.629 177.415 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.7 -35.69 80.53 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 119.028 0.831 . . . . 0.0 110.467 176.691 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -66.49 -46.31 76.69 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.745 1.218 . . . . 0.0 110.051 176.975 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -62.14 -44.19 97.18 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.867 0.867 . . . . 0.0 109.411 177.314 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.34 -48.39 81.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.488 1.515 . . . . 0.0 111.569 177.098 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.78 93.59 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.861 0.864 . . . . 0.0 111.117 176.867 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -60.01 -47.32 86.34 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.122 0.969 . . . . 0.0 110.297 177.289 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.34 -49.22 67.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.491 1.516 . . . . 0.0 113.218 -178.344 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.77 -34.86 76.28 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.933 1.293 . . . . 0.0 113.457 179.675 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.39 -21.03 28.09 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 179.294 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -146.31 -26.39 0.43 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -177.556 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.89 -24.36 58.1 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 116.802 1.481 . . . . 0.0 116.802 -178.568 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 p -93.07 -35.02 0.33 Allowed Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 179.871 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -55.25 -26.57 52.5 Favored 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 122.839 2.36 . . . . 0.0 116.103 -179.933 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.11 0 CA-C-N 119.268 0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -79.99 -27.64 39.6 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 -178.364 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -161.52 178.93 8.63 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.885 1.674 . . . . 0.0 110.856 -178.398 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt -52.78 -51.79 59.32 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.267 1.027 . . . . 0.0 111.935 178.158 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -57.87 -50.09 74.5 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.853 -178.413 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.4 p -63.12 -31.98 73.25 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-N 119.513 1.051 . . . . 0.0 110.994 178.265 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -38.87 74.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.048 -1.658 . . . . 0.0 110.292 178.076 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.17 -45.94 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 115.835 -2.031 . . . . 0.0 108.514 177.584 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.53 -32.14 73.03 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 126.571 2.42 . . . . 0.0 109.941 177.821 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.05 -44.61 76.86 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 178.772 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.85 -43.11 99.5 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.298 1.039 . . . . 0.0 109.105 177.744 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.53 -44.98 89.12 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.96 -34.45 76.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.721 -0.612 . . . . 0.0 112.159 177.171 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.5 -49.45 71.3 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.611 1.164 . . . . 0.0 110.438 177.565 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -64.79 -40.37 95.12 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 117.597 -1.192 . . . . 0.0 109.514 177.844 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.06 -39.66 90.69 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.989 0.813 . . . . 0.0 110.901 177.251 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.88 -38.47 91.01 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.895 0.77 . . . . 0.0 109.804 178.882 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 118.254 -0.879 . . . . 0.0 108.781 176.949 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.61 -35.22 77.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 115.712 -2.089 . . . . 0.0 110.555 178.069 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -63.9 -43.85 94.75 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 119.584 1.083 . . . . 0.0 109.287 178.224 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.3 m -69.29 -40.76 77.52 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.127 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.5 -55.43 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.196 1.398 . . . . 0.0 110.112 177.127 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.8 mt -57.71 -47.11 83.33 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.925 1.69 . . . . 0.0 112.596 177.659 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.96 89.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.593 0.757 . . . . 0.0 111.825 177.345 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.4 m -66.65 -47.51 72.3 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.544 0.688 . . . . 0.0 111.018 177.54 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.04 -53.54 57.22 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.968 1.707 . . . . 0.0 114.53 -179.477 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -65.92 -14.84 62.27 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -177.931 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.65 -65.33 0.45 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.944 0.783 . . . . 0.0 112.375 -180.0 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -87.71 -30.89 20.0 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 119.741 -2.035 . . . . 0.0 112.953 -177.47 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.13 -9.34 85.3 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 117.501 1.76 . . . . 0.0 117.501 -176.985 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.66 -50.16 0.29 Allowed Pre-proline 0 N--CA 1.474 0.752 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -178.01 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.89 -26.32 80.42 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 123.148 2.566 . . . . 0.0 118.365 -178.507 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.179 0 CA-C-N 119.197 0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 p -87.02 -36.69 18.07 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -175.724 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -150.59 176.18 11.22 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.39 1.476 . . . . 0.0 111.291 178.362 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt -53.73 -51.13 64.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.928 0.491 . . . . 0.0 111.151 -178.835 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -60.6 -45.84 92.51 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.012 -178.888 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p -64.28 -30.78 71.82 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.315 1.416 . . . . 0.0 111.54 176.913 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -44.71 81.38 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 177.436 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.1 -44.45 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 -176.947 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.06 -42.95 95.61 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.866 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.45 85.71 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 118.307 -1.274 . . . . 0.0 111.48 177.67 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -67.7 -39.08 84.4 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.202 1.501 . . . . 0.0 109.355 177.313 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.32 -47.92 83.71 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 107.815 -1.179 . . . . 0.0 107.815 178.066 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.7 m -59.07 -40.53 85.49 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.226 1.01 . . . . 0.0 109.821 176.809 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.21 -47.26 83.27 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 125.605 1.562 . . . . 0.0 111.198 178.916 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.94 -36.33 84.03 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.064 0.847 . . . . 0.0 109.358 177.689 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.15 -32.69 74.29 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.882 -1.761 . . . . 0.0 110.292 175.799 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.7 -43.76 71.77 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 119.348 -2.095 . . . . 0.0 108.63 175.985 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -58.44 -47.75 82.98 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 105.677 -1.971 . . . . 0.0 105.677 179.025 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.08 -47.51 80.83 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.342 179.076 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -55.6 -44.13 76.71 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.991 0.814 . . . . 0.0 109.737 177.04 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -66.72 -39.5 88.02 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 119.928 1.24 . . . . 0.0 107.985 -177.311 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -64.6 -43.68 93.0 Favored 'General case' 0 CA--C 1.566 1.567 0 O-C-N 120.691 -1.256 . . . . 0.0 109.383 177.608 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.78 -38.42 90.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.689 1.196 . . . . 0.0 110.738 177.101 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.72 87.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.914 1.286 . . . . 0.0 111.677 177.275 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -64.78 -40.06 94.63 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.875 -1.141 . . . . 0.0 109.885 177.11 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.94 -54.24 20.19 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.097 0.959 . . . . 0.0 112.469 177.207 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.6 p -71.14 -5.78 34.28 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.329 1.852 . . . . 0.0 114.299 -177.819 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.81 -41.98 0.89 Allowed Glycine 0 C--N 1.347 1.142 0 C-N-CA 124.247 0.927 . . . . 0.0 114.358 176.07 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 m -120.92 -44.66 2.41 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.871 -1.37 . . . . 0.0 113.738 -178.233 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.14 24.86 0.7 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 119.842 2.697 . . . . 0.0 119.842 179.493 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.85 -48.26 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.165 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -178.153 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.9 -8.94 17.17 Favored 'Trans proline' 0 CA--C 1.559 1.747 0 C-N-CA 123.137 2.558 . . . . 0.0 117.84 -179.457 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.332 0 CA-C-N 119.843 1.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -67.73 -30.41 69.89 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -177.251 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -161.54 179.32 8.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.57 1.148 . . . . 0.0 110.739 -178.941 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -53.24 -50.97 63.66 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.873 1.269 . . . . 0.0 111.913 177.386 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -58.99 -48.17 82.54 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.406 1.083 . . . . 0.0 113.157 179.707 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.2 p -63.79 -34.97 79.09 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.814 1.188 . . . . 0.0 110.798 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -43.91 82.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.867 0.758 . . . . 0.0 109.939 177.077 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.92 -44.84 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.064 1.345 . . . . 0.0 108.868 177.587 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 mt -57.16 -43.54 82.64 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 0.0 108.873 177.697 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -43.95 95.12 Favored Glycine 0 CA--C 1.536 1.361 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 177.262 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -64.5 -42.12 96.03 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.049 0.94 . . . . 0.0 110.379 177.732 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.18 -43.2 95.84 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.473 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -59.17 -39.34 82.2 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.747 1.158 . . . . 0.0 109.915 176.493 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -66.04 -48.82 69.82 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.511 1.525 . . . . 0.0 108.806 179.894 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -58.53 -47.26 84.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.602 1.092 . . . . 0.0 108.712 177.84 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.85 -41.72 87.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.623 1.169 . . . . 0.0 108.556 177.581 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.41 -37.29 84.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.229 0.922 . . . . 0.0 109.532 -179.259 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -60.84 -46.0 92.3 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 179.936 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.36 -45.45 88.19 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.023 0.929 . . . . 0.0 109.493 176.621 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -56.02 -45.62 79.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.56 1.073 . . . . 0.0 109.365 177.324 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -65.55 -44.01 88.11 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -176.807 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.81 -47.92 82.94 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.785 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.49 -51.86 67.74 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.284 1.434 . . . . 0.0 110.634 177.1 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.4 -40.82 79.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.858 1.263 . . . . 0.0 112.798 177.482 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.4 m -67.67 -40.09 84.49 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.606 -0.684 . . . . 0.0 109.856 177.486 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -68.93 -46.68 67.64 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.17 -0.956 . . . . 0.0 112.508 178.967 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 p -69.72 -40.15 76.42 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.077 0.853 . . . . 0.0 112.304 177.927 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.89 -33.66 23.55 Favored Glycine 0 N--CA 1.48 1.58 0 N-CA-C 118.013 1.965 . . . . 0.0 118.013 -179.157 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -129.39 -20.41 3.32 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -177.832 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.92 -53.36 3.99 Favored Glycine 0 CA--C 1.539 1.557 0 O-C-N 120.133 -1.604 . . . . 0.0 116.408 178.902 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.0 p -66.53 -32.3 5.11 Favored Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 118.604 2.816 . . . . 0.0 118.604 -179.977 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.15 -11.2 23.93 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.404 2.736 . . . . 0.0 116.171 176.72 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.594 0 CA-C-N 119.802 1.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 p -60.03 -33.02 71.44 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 -179.017 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -158.39 177.02 11.71 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.275 1.43 . . . . 0.0 110.819 177.413 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.92 -49.7 72.75 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.247 0.619 . . . . 0.0 112.41 178.865 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -57.66 -49.69 75.65 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.895 178.279 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p -63.79 -27.69 69.35 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.928 1.24 . . . . 0.0 111.161 177.182 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -42.11 80.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.977 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.32 -48.62 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.165 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.34 -44.2 75.71 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.606 0.763 . . . . 0.0 110.85 177.622 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.41 -45.76 92.6 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 123.919 0.771 . . . . 0.0 111.402 176.851 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -61.34 -45.63 93.6 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 123.479 0.712 . . . . 0.0 109.756 176.292 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.0 mt -56.68 -38.42 72.22 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 119.002 0.819 . . . . 0.0 109.683 178.753 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.9 m -65.62 -37.75 87.46 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.281 -0.887 . . . . 0.0 109.399 178.645 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.51 -44.83 77.48 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.999 -1.063 . . . . 0.0 110.424 176.244 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -60.07 -38.24 82.26 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.47 1.032 . . . . 0.0 110.341 176.371 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.4 -38.49 84.73 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.712 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.07 -38.68 91.6 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.084 0.856 . . . . 0.0 109.177 177.883 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.58 -42.83 97.48 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.846 -1.074 . . . . 0.0 108.104 176.563 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.3 mt -59.62 -42.03 91.75 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 124.376 1.048 . . . . 0.0 109.21 177.366 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -62.21 -42.27 99.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.012 0.824 . . . . 0.0 109.38 178.428 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -66.09 -43.94 85.84 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.959 0.904 . . . . 0.0 110.267 177.595 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.7 -46.61 89.71 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.415 1.086 . . . . 0.0 109.824 177.395 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt -57.54 -55.72 31.22 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.561 1.544 . . . . 0.0 110.323 177.841 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.01 73.03 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.221 1.009 . . . . 0.0 112.045 177.327 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 m -63.97 -46.43 84.65 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.53 -0.732 . . . . 0.0 109.997 177.456 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -62.85 -45.1 94.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.518 1.927 . . . . 0.0 113.814 -179.326 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 p -76.85 -34.66 57.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.861 1.265 . . . . 0.0 112.551 -178.568 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.32 -20.99 18.58 Favored Glycine 0 CA--C 1.547 2.063 0 N-CA-C 116.499 1.36 . . . . 0.0 116.499 -176.011 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 m -136.38 -43.69 0.62 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -179.075 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.83 -44.53 96.97 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 125.104 1.335 . . . . 0.0 113.837 -177.235 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.25 43.5 p -92.6 -43.38 0.35 Allowed Pre-proline 0 N--CA 1.483 1.198 0 CA-C-O 115.639 -2.124 . . . . 0.0 114.12 179.125 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -77.84 -3.58 13.66 Favored 'Trans proline' 0 CA--C 1.571 2.371 0 C-N-CA 123.8 3.0 . . . . 0.0 114.901 177.887 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.579 0 CA-C-N 121.053 1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 p -78.98 -31.99 45.13 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -178.05 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -156.67 179.65 9.06 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.818 1.647 . . . . 0.0 110.973 177.885 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -45.07 91.88 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.248 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -60.99 -46.73 89.58 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 117.134 -1.412 . . . . 0.0 111.464 177.284 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.0 -22.53 66.46 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 120.011 1.278 . . . . 0.0 110.742 177.045 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -37.94 64.5 Favored 'General case' 0 CA--C 1.497 -1.091 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.762 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.47 -48.34 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.205 -1.559 . . . . 0.0 107.087 177.105 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.14 -48.06 79.6 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.246 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.78 -42.1 96.3 Favored Glycine 0 C--O 1.214 -1.148 0 O-C-N 121.313 -0.867 . . . . 0.0 112.166 179.421 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -58.14 -52.12 66.87 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 119.49 1.645 . . . . 0.0 108.242 173.483 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.5 mt -58.46 -39.18 79.21 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -178.698 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -63.65 -38.6 91.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 119.89 -1.756 . . . . 0.0 108.809 -179.628 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -67.36 -48.54 67.17 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.581 177.376 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.02 -40.34 76.48 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 119.299 0.954 . . . . 0.0 109.845 177.773 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.1 mt -67.5 -41.48 84.43 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -178.777 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -65.86 -35.77 81.58 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.953 1.251 . . . . 0.0 111.194 177.031 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.59 -49.66 76.65 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 176.834 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -59.24 -38.48 80.13 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.676 177.351 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.71 -35.18 80.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.15 1.341 . . . . 0.0 110.078 178.061 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 m -72.35 -39.17 68.3 Favored 'General case' 0 N--CA 1.484 1.225 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.131 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -66.41 -37.13 84.53 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.872 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.48 -37.77 88.69 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 116.609 -1.662 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.22 78.79 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.503 1.047 . . . . 0.0 110.179 176.988 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 m -69.3 -46.02 68.16 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 177.312 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.9 -43.98 97.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.249 2.22 . . . . 0.0 113.465 179.987 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.6 p -83.91 -42.41 16.36 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 179.782 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.5 -24.57 56.19 Favored Glycine 0 N--CA 1.475 1.237 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.43 -175.888 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -129.68 -44.45 1.21 Allowed 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.66 1.73 . . . . 0.0 111.81 179.703 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.86 -61.5 7.38 Favored Glycine 0 CA--C 1.544 1.864 0 CA-C-N 118.839 0.745 . . . . 0.0 113.667 -177.7 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.454 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 30.8 m -56.03 -52.75 70.1 Favored Pre-proline 0 N--CA 1.491 1.615 0 C-N-CA 125.923 1.689 . . . . 0.0 114.391 -177.212 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.454 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 32.3 Cg_exo -60.7 -28.67 86.91 Favored 'Trans proline' 0 CA--C 1.572 2.407 0 C-N-CA 122.186 1.924 . . . . 0.0 115.19 177.627 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.662 0 CA-C-N 121.092 1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 118.254 -0.879 . . . . 0.0 108.658 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 p -67.09 -35.24 79.37 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -178.478 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -160.41 -179.1 7.39 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.224 1.409 . . . . 0.0 111.997 179.697 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 tp -51.68 -52.59 46.96 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.327 1.451 . . . . 0.0 112.497 178.037 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -58.4 -48.04 81.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.943 0.897 . . . . 0.0 112.044 179.32 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.9 p -65.79 -31.34 72.26 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 119.099 0.863 . . . . 0.0 111.525 177.457 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -41.77 81.67 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 119.533 1.061 . . . . 0.0 109.112 176.735 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.6 -41.28 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 177.385 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.0 mt -59.7 -37.62 79.36 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.252 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.27 -44.11 98.51 Favored Glycine 0 CA--C 1.541 1.689 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 177.819 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -60.73 -47.19 87.42 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.512 1.156 . . . . 0.0 109.483 176.696 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.95 -48.02 82.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 110.679 177.593 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -59.12 -40.57 85.82 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.665 0.786 . . . . 0.0 110.876 176.988 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -62.68 -49.17 76.15 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.18 1.392 . . . . 0.0 110.243 177.368 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.24 -42.95 96.36 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.007 1.276 . . . . 0.0 110.071 178.787 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.62 -45.23 91.27 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.068 0.547 . . . . 0.0 110.336 177.43 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -60.09 -42.06 93.82 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.379 1.472 . . . . 0.0 111.925 177.319 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -57.33 -44.84 84.56 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.197 0.999 . . . . 0.0 109.466 177.401 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.83 -38.5 85.68 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.928 176.645 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.92 -42.96 99.13 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.347 1.43 . . . . 0.0 111.151 177.315 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -61.09 -46.34 91.01 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.788 0.722 . . . . 0.0 110.813 177.147 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.91 -42.45 97.4 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.627 -0.671 . . . . 0.0 111.716 177.208 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.32 -52.22 66.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.449 1.5 . . . . 0.0 111.693 177.582 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.79 67.09 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.181 0.9 . . . . 0.0 111.248 177.397 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 m -61.09 -49.7 76.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.019 0.928 . . . . 0.0 110.484 177.205 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -60.92 -47.8 84.75 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.474 1.91 . . . . 0.0 113.272 -178.888 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.1 p -75.85 -38.78 57.64 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -177.49 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.26 -21.7 26.69 Favored Glycine 0 N--CA 1.473 1.102 0 N-CA-C 117.502 1.761 . . . . 0.0 117.502 -177.397 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -129.44 -42.63 1.31 Allowed 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 118.708 1.254 . . . . 0.0 113.39 -178.075 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.17 -45.81 84.25 Favored Glycine 0 N--CA 1.466 0.681 0 N-CA-C 116.051 1.18 . . . . 0.0 116.051 -178.086 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 m -78.87 -51.3 1.37 Allowed Pre-proline 0 N--CA 1.474 0.77 0 CA-C-N 118.094 0.947 . . . . 0.0 113.223 -178.365 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.93 3.25 4.61 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 123.189 2.593 . . . . 0.0 115.009 177.163 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -81.33 -42.15 20.99 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 179.847 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -146.56 177.66 8.89 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.639 1.576 . . . . 0.0 111.301 179.699 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.39 -45.32 76.63 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 121.436 -0.79 . . . . 0.0 112.098 -178.714 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m -61.27 -49.13 78.31 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.986 0.812 . . . . 0.0 110.53 179.774 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.7 p -65.32 -25.89 67.81 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.522 1.055 . . . . 0.0 111.513 177.573 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -40.24 66.43 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.087 0.858 . . . . 0.0 109.549 176.231 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.31 -43.69 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.74 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.7 mt -57.88 -42.83 85.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.452 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -44.13 94.94 Favored Glycine 0 CA--C 1.542 1.734 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 176.84 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -61.68 -48.89 78.77 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 118.285 1.042 . . . . 0.0 108.21 178.163 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.5 mt -57.03 -49.01 77.11 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.223 1.009 . . . . 0.0 111.228 177.59 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.2 m -59.35 -42.99 92.84 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.381 176.921 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -63.92 -48.98 74.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.376 1.47 . . . . 0.0 110.848 178.44 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.23 -40.48 94.18 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.524 1.056 . . . . 0.0 109.958 178.498 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.6 mt -66.75 -38.04 85.82 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.563 -0.711 . . . . 0.0 109.581 176.695 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -64.55 -41.11 96.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.712 0.805 . . . . 0.0 109.047 177.658 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.83 -45.1 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.562 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.91 -38.28 81.87 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.083 177.006 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.46 -40.59 97.52 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.112 1.324 . . . . 0.0 108.959 177.329 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -64.48 -47.33 79.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.41 0.684 . . . . 0.0 109.64 177.201 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -59.32 -44.89 92.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.646 0.778 . . . . 0.0 110.929 177.221 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.94 -42.76 99.91 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 125.231 1.412 . . . . 0.0 111.918 178.398 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.0 80.51 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.212 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.2 m -62.84 -40.49 97.59 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.783 0.833 . . . . 0.0 110.789 176.968 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -61.83 -55.06 33.84 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.714 1.606 . . . . 0.0 112.586 178.022 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.3 p -75.96 -27.38 57.5 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.732 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.16 -19.29 33.8 Favored Glycine 0 CA--C 1.54 1.601 0 N-CA-C 115.63 1.012 . . . . 0.0 115.63 -178.895 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m -143.65 -52.73 0.35 Allowed 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.639 1.22 . . . . 0.0 113.945 -176.478 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.25 -26.86 51.43 Favored Glycine 0 N--CA 1.473 1.11 0 C-N-CA 126.196 1.855 . . . . 0.0 117.015 -177.879 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.0 p -110.91 -42.25 0.1 Allowed Pre-proline 0 CA--C 1.546 0.802 0 CA-C-O 116.542 -1.694 . . . . 0.0 113.263 177.524 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -71.86 -9.9 25.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 C-N-CA 122.932 2.422 . . . . 0.0 113.922 177.659 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 120.492 1.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -87.34 -16.54 34.75 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 116.345 1.979 . . . . 0.0 116.345 -177.6 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -169.22 173.63 6.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.914 2.086 . . . . 0.0 110.413 -179.841 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.2 tp -52.21 -52.71 50.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.736 1.214 . . . . 0.0 111.471 178.837 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 m -59.82 -41.88 92.25 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.823 0.849 . . . . 0.0 113.004 179.525 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 p -68.01 -29.39 68.38 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.514 1.506 . . . . 0.0 110.268 177.174 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -41.7 79.85 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 176.247 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.892 178.868 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.12 -37.83 78.17 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.329 0.651 . . . . 0.0 110.524 176.644 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.33 -49.94 69.57 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 175.884 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -59.13 -49.76 76.65 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.686 0.743 . . . . 0.0 109.676 177.094 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.7 mt -54.27 -50.59 66.9 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.538 1.135 . . . . 0.0 111.854 178.621 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 m -60.41 -39.01 85.86 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.872 1.215 . . . . 0.0 112.295 176.815 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -64.2 -49.25 72.77 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.822 0.849 . . . . 0.0 111.053 177.097 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.16 -37.93 89.24 Favored 'General case' 0 C--N 1.342 0.272 0 O-C-N 121.405 -0.81 . . . . 0.0 111.967 177.853 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.53 -42.5 99.56 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.409 -1.432 . . . . 0.0 108.9 176.957 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -61.43 -37.3 83.0 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 125.032 1.333 . . . . 0.0 110.832 176.385 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.5 -48.32 64.72 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.16 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.6 mt -56.15 -44.16 79.0 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.999 1.272 . . . . 0.0 110.7 176.948 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.22 -40.88 91.71 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.85 0.86 . . . . 0.0 110.853 177.051 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.0 m -66.09 -42.09 89.78 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.972 0.509 . . . . 0.0 110.286 176.951 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -62.35 -44.18 97.09 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.884 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.09 -34.91 78.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.558 1.143 . . . . 0.0 111.887 177.033 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.99 92.71 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.819 1.191 . . . . 0.0 108.892 177.682 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.8 m -65.69 -37.52 86.69 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.482 -1.386 . . . . 0.0 108.822 179.774 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -70.65 -51.17 29.66 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.833 1.253 . . . . 0.0 111.98 178.798 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.6 p -70.14 -30.63 67.84 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.018 1.327 . . . . 0.0 113.552 -178.552 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.45 -26.66 10.67 Favored Glycine 0 CA--C 1.545 1.951 0 C-N-CA 123.66 0.648 . . . . 0.0 114.622 -178.174 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -127.81 -52.69 1.34 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -178.222 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.3 -43.23 57.26 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 117.69 1.836 . . . . 0.0 117.69 179.415 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.3 p -95.73 -46.71 0.26 Allowed Pre-proline 0 N--CA 1.48 1.053 0 CA-C-O 116.562 -1.685 . . . . 0.0 115.095 -179.29 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -71.27 -16.64 31.39 Favored 'Trans proline' 0 C--N 1.357 1.007 0 CA-C-N 122.867 2.06 . . . . 0.0 115.438 -178.531 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.627 0 CA-C-N 119.875 1.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 p -58.28 -47.54 83.31 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 -176.914 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -144.12 173.97 11.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.857 0.863 . . . . 0.0 111.148 179.134 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.8 tp -58.24 -48.5 80.21 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.207 -0.933 . . . . 0.0 112.173 -177.724 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -58.13 -46.51 85.48 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.477 1.111 . . . . 0.0 111.753 177.356 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.0 p -67.16 -29.62 69.37 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.265 0.939 . . . . 0.0 110.959 177.145 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -42.56 77.31 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 119.385 0.993 . . . . 0.0 108.903 177.509 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.62 -51.88 66.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.524 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.6 mt -54.29 -45.08 72.43 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.47 1.108 . . . . 0.0 110.207 177.079 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.52 -45.92 93.87 Favored Glycine 0 CA--C 1.535 1.325 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -179.611 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.13 -47.22 80.8 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.098 0.949 . . . . 0.0 109.482 177.289 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.6 mt -56.61 -50.58 71.59 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.498 1.119 . . . . 0.0 110.362 178.47 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.3 m -56.27 -38.91 71.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.735 1.152 . . . . 0.0 110.75 178.501 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.19 -47.71 70.11 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.73 0.695 . . . . 0.0 111.224 177.388 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.26 -38.84 91.59 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 119.149 0.886 . . . . 0.0 110.645 178.089 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.99 -38.55 91.33 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.376 1.071 . . . . 0.0 108.799 177.312 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -65.02 -42.29 94.51 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.269 -0.894 . . . . 0.0 108.612 176.787 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -59.28 -43.91 92.49 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.787 1.176 . . . . 0.0 109.111 177.074 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.47 -38.61 87.89 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.545 0.738 . . . . 0.0 110.03 177.18 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -63.35 -42.91 98.95 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.964 1.256 . . . . 0.0 107.635 178.261 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.5 m -65.84 -40.1 91.45 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.668 1.187 . . . . 0.0 110.655 177.16 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -64.15 -43.66 94.51 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 121.205 -0.934 . . . . 0.0 109.468 177.762 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.66 -44.38 96.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.844 0.858 . . . . 0.0 109.636 177.126 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.84 83.07 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.052 0.842 . . . . 0.0 110.174 176.858 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 m -58.0 -39.29 77.9 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.682 1.593 . . . . 0.0 109.256 177.677 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.06 -51.89 58.9 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.469 -0.77 . . . . 0.0 109.846 179.12 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.8 p -62.58 -24.25 67.45 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 178.307 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.02 -29.13 8.74 Favored Glycine 0 N--CA 1.482 1.759 0 N-CA-C 117.098 1.599 . . . . 0.0 117.098 178.263 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -139.46 -50.3 0.5 Allowed 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.354 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.44 -53.02 8.42 Favored Glycine 0 CA--C 1.552 2.36 0 N-CA-C 117.462 1.745 . . . . 0.0 117.462 -177.615 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.52 -40.36 0.27 Allowed Pre-proline 0 N--CA 1.477 0.896 0 CA-C-O 115.646 -2.121 . . . . 0.0 115.573 177.448 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.44 -27.41 82.42 Favored 'Trans proline' 0 C--N 1.353 0.798 0 CA-C-N 123.038 2.121 . . . . 0.0 116.106 176.514 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.92 0 CA-C-N 119.75 1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p -65.15 -35.31 80.72 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.2 1.555 . . . . 0.0 115.2 -177.566 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -156.34 175.26 14.24 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.605 1.162 . . . . 0.0 110.302 177.188 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.66 -43.27 89.78 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.406 -0.809 . . . . 0.0 112.285 -178.958 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -60.42 -45.95 91.78 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.245 1.018 . . . . 0.0 111.467 177.299 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -67.19 -29.39 69.06 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.39 0.996 . . . . 0.0 111.368 177.107 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -42.14 97.79 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.417 1.008 . . . . 0.0 108.716 175.586 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.16 -45.45 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.001 1.32 . . . . 0.0 108.489 178.273 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.84 -32.0 70.26 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.018 0.927 . . . . 0.0 110.189 177.289 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.02 -50.84 37.72 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.604 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -55.87 -48.38 75.66 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.166 0.986 . . . . 0.0 109.308 177.221 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.54 -48.31 82.14 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.925 1.29 . . . . 0.0 111.667 177.138 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -58.29 -37.5 75.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.574 0.749 . . . . 0.0 110.688 177.865 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -48.2 77.2 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.856 178.129 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -62.24 -44.04 97.45 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.683 0.674 . . . . 0.0 109.819 177.209 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.74 -36.81 82.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.592 1.157 . . . . 0.0 111.364 177.464 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.87 -49.91 64.16 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.409 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -54.75 -46.2 74.28 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 118.852 0.751 . . . . 0.0 109.434 177.55 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.44 -47.03 87.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.834 1.253 . . . . 0.0 110.859 177.836 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -60.58 -38.04 83.31 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.543 1.065 . . . . 0.0 111.154 176.749 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 m -66.19 -44.22 84.6 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 177.668 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.31 -43.5 96.3 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.372 -0.83 . . . . 0.0 109.642 178.227 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.74 -43.47 97.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.133 1.373 . . . . 0.0 110.967 178.358 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.94 83.97 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 123.617 0.767 . . . . 0.0 110.41 175.793 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.9 m -62.71 -39.55 94.37 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.435 0.694 . . . . 0.0 110.66 177.25 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.443 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 10.4 t-20 -69.21 -50.31 48.53 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.121 -1.612 . . . . 0.0 112.966 179.051 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -62.23 -18.23 60.56 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.569 1.147 . . . . 0.0 113.17 -178.349 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.43 -53.12 0.61 Allowed Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.812 1.196 . . . . 0.0 113.98 178.037 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.3 m -107.34 -32.24 7.85 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -176.934 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . -67.86 -44.33 79.97 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-O 117.761 -1.577 . . . . 0.0 115.357 -176.567 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.3 1.3 p -106.3 -55.78 0.07 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 177.158 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -75.33 -8.2 19.49 Favored 'Trans proline' 0 CA--C 1.552 1.403 0 C-N-CA 122.972 2.448 . . . . 0.0 114.311 176.105 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 119.072 -2.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -71.08 -33.01 69.8 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -177.496 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -157.61 176.95 11.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.734 1.214 . . . . 0.0 111.116 179.108 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp -54.91 -44.4 74.16 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.675 0.79 . . . . 0.0 112.429 177.742 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -60.74 -50.48 73.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.3 1.04 . . . . 0.0 111.21 179.097 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.0 p -64.38 -29.56 70.62 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.549 1.068 . . . . 0.0 112.085 177.306 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -46.09 68.19 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.675 1.125 . . . . 0.0 109.312 177.428 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.47 -49.51 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 O-C-N 121.245 -0.91 . . . . 0.0 109.832 177.59 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -58.14 -40.97 82.7 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.606 0.762 . . . . 0.0 110.469 176.91 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -43.32 95.33 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.691 1.138 . . . . 0.0 111.301 176.186 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -64.44 -51.31 63.74 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 176.989 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.43 -38.79 74.95 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.573 1.149 . . . . 0.0 112.479 179.407 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -63.16 -38.67 92.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.053 1.297 . . . . 0.0 108.513 177.755 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.58 -39.83 77.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.776 1.231 . . . . 0.0 109.437 176.895 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.35 -41.62 98.87 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.588 1.54 . . . . 0.0 108.787 177.133 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -64.73 -35.5 81.28 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.093 1.757 . . . . 0.0 108.907 177.344 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -66.16 -48.39 70.91 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 177.223 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.43 -45.27 80.84 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.944 1.298 . . . . 0.0 108.568 178.532 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.01 -45.04 96.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.129 0.972 . . . . 0.0 110.071 177.423 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -57.57 -43.77 84.78 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 119.718 1.145 . . . . 0.0 110.413 175.86 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -64.96 -44.24 90.06 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.101 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.98 93.75 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.567 1.076 . . . . 0.0 111.143 176.885 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.32 -46.38 90.08 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.16 0.984 . . . . 0.0 109.951 177.201 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.65 68.7 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.29 1.036 . . . . 0.0 110.909 178.346 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.8 m -62.3 -37.0 83.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.747 -0.595 . . . . 0.0 110.523 177.643 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -65.72 -51.29 60.49 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.073 -1.017 . . . . 0.0 111.93 177.828 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 p -61.83 -7.1 3.22 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.591 1.557 . . . . 0.0 115.024 178.188 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.92 -39.25 0.61 Allowed Glycine 0 CA--C 1.548 2.113 0 C-N-CA 124.894 1.235 . . . . 0.0 113.885 179.79 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -130.12 -11.81 4.16 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -177.33 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.19 -37.1 6.81 Favored Glycine 0 N--CA 1.477 1.38 0 CA-C-N 120.351 1.432 . . . . 0.0 114.289 -177.268 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -118.2 -44.54 0.05 OUTLIER Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 -179.008 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -72.32 -8.55 22.91 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 CA-C-N 123.055 2.127 . . . . 0.0 114.894 178.665 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.102 0 CA-C-N 120.889 1.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -82.25 -21.36 36.33 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 179.052 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -166.3 171.87 11.66 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.271 1.428 . . . . 0.0 110.435 177.802 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.5 tp -51.32 -46.04 62.46 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.817 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -57.88 -52.98 63.23 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.353 1.461 . . . . 0.0 111.507 178.225 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -63.49 -27.57 69.37 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 121.183 -0.948 . . . . 0.0 111.219 178.584 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -39.68 73.82 Favored 'General case' 0 CA--C 1.554 1.13 0 CA-C-N 119.003 0.82 . . . . 0.0 109.018 176.478 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.2 -51.15 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 CA-C-N 119.777 1.172 . . . . 0.0 108.679 177.058 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.94 -39.07 77.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.44 0.696 . . . . 0.0 111.395 177.59 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -45.27 96.54 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.383 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.47 -44.7 90.22 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.05 177.379 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -54.96 -48.0 73.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.612 1.096 . . . . 0.0 109.956 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -59.68 -42.15 92.29 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.699 0.8 . . . . 0.0 110.085 179.132 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -69.27 -41.61 76.65 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.657 0.783 . . . . 0.0 111.552 179.234 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.75 -40.91 96.09 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.728 1.149 . . . . 0.0 108.29 176.603 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.4 mt -63.29 -36.78 84.82 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 176.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -64.42 -43.48 94.22 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.297 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -61.3 -36.46 80.15 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.984 177.188 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.8 mt -66.75 -37.0 83.75 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.036 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -65.25 -35.08 79.94 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.736 1.153 . . . . 0.0 109.194 176.965 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 m -66.71 -39.43 88.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.681 1.128 . . . . 0.0 109.577 175.639 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -68.36 -40.14 81.57 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 121.101 -0.999 . . . . 0.0 110.783 176.3 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.18 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.443 1.497 . . . . 0.0 110.089 175.98 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.02 81.31 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 120.068 -1.645 . . . . 0.0 107.995 178.689 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.5 m -58.68 -44.92 90.37 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.901 0.48 . . . . 0.0 110.407 177.134 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 6.0 t-20 -70.56 -41.79 71.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.111 -0.993 . . . . 0.0 113.254 -178.705 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 p -67.6 -30.67 70.33 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.054 0.942 . . . . 0.0 112.748 177.437 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.05 -49.88 3.41 Favored Glycine 0 CA--C 1.535 1.295 0 N-CA-C 115.661 1.025 . . . . 0.0 115.661 177.806 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -120.25 -6.45 9.88 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -177.298 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . -84.47 -66.43 1.47 Allowed Glycine 0 N--CA 1.468 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 114.922 -178.141 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.299 11.9 p -117.88 -55.71 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.592 0 CA-C-O 116.109 -1.901 . . . . 0.0 115.366 -177.64 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -76.52 -32.78 3.54 Favored 'Trans proline' 0 CA--C 1.555 1.537 0 CA-C-N 123.325 2.223 . . . . 0.0 113.266 176.957 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.044 0 CA-C-N 119.175 0.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 p -70.87 -26.44 63.25 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -177.488 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -160.21 176.76 11.38 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.873 1.669 . . . . 0.0 110.472 177.406 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp -57.26 -47.16 82.12 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.343 0.657 . . . . 0.0 111.725 179.954 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -58.04 -43.62 86.92 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 112.65 177.47 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.0 p -66.05 -32.47 73.95 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 120.532 1.515 . . . . 0.0 110.829 177.382 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -40.81 89.12 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 176.652 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.3 -45.0 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.905 0.882 . . . . 0.0 109.342 176.912 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.7 mt -57.04 -36.58 70.66 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.635 1.107 . . . . 0.0 110.338 177.017 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.21 -49.26 62.63 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 176.181 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -58.58 -47.74 83.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.312 1.045 . . . . 0.0 109.949 177.137 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.11 -41.37 88.0 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.665 0.786 . . . . 0.0 110.872 177.345 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.1 m -63.42 -41.1 98.7 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.429 0.692 . . . . 0.0 110.961 177.301 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -61.66 -51.06 70.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.106 0.962 . . . . 0.0 109.785 177.203 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.75 -41.26 97.43 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.805 -0.56 . . . . 0.0 111.408 177.164 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.65 -32.17 72.32 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 177.238 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -71.07 -42.55 69.25 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 176.472 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -61.88 -43.5 98.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.845 0.858 . . . . 0.0 109.312 176.966 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.78 -46.26 87.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.047 0.939 . . . . 0.0 109.81 177.044 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -63.55 -31.27 72.38 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.619 177.471 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.5 m -68.93 -45.1 71.69 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.817 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -59.99 -42.28 93.86 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.099 0.96 . . . . 0.0 110.455 176.682 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.05 -45.6 92.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.422 1.089 . . . . 0.0 110.458 177.473 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.31 86.13 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.384 -0.823 . . . . 0.0 110.64 177.131 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.4 m -59.29 -48.79 80.3 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.43 -0.794 . . . . 0.0 111.816 177.075 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.38 -41.22 89.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.842 0.747 . . . . 0.0 112.683 -179.374 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.1 p -70.78 -33.18 70.49 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.297 -0.877 . . . . 0.0 113.327 177.808 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.37 -25.82 22.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.538 1.066 . . . . 0.0 115.345 -179.036 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -152.25 24.02 0.63 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.084 1.942 . . . . 0.0 114.655 -178.844 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -115.68 -81.57 0.93 Allowed Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.446 1.022 . . . . 0.0 112.982 178.206 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.291 3.0 p -88.33 -57.58 0.28 Allowed Pre-proline 0 N--CA 1.48 1.042 0 CA-C-O 116.84 -1.552 . . . . 0.0 115.011 179.254 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.05 -23.15 9.41 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.505 2.803 . . . . 0.0 114.697 177.953 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 120.743 -1.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -70.54 -43.94 68.51 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.998 2.221 . . . . 0.0 116.998 -177.365 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -147.72 175.19 11.1 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.287 1.403 . . . . 0.0 111.55 179.147 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.9 tp -54.38 -48.17 71.85 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.248 -0.908 . . . . 0.0 112.413 -178.731 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -58.35 -51.61 69.06 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.732 1.213 . . . . 0.0 110.049 178.562 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -67.61 -27.09 66.6 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 119.229 0.922 . . . . 0.0 110.856 179.695 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.36 -43.96 54.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.023 -1.048 . . . . 0.0 109.336 177.729 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.33 -48.03 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.467 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.809 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.26 -34.06 73.2 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.08 1.309 . . . . 0.0 108.164 177.377 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.28 -44.68 90.25 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 178.808 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.44 -47.56 85.57 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.612 1.706 . . . . 0.0 106.57 176.992 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.0 -37.02 78.46 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.448 1.022 . . . . 0.0 110.886 177.213 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.95 93.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.332 1.053 . . . . 0.0 110.081 176.724 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.89 -43.41 79.39 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.474 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.21 -37.15 86.4 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.648 -1.282 . . . . 0.0 108.385 179.241 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.04 -39.9 93.99 Favored 'General case' 0 N--CA 1.433 -1.31 0 O-C-N 120.121 -1.612 . . . . 0.0 107.771 178.579 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -63.3 -45.93 89.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.33 1.452 . . . . 0.0 108.634 177.803 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -59.79 -47.37 85.95 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.678 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.59 -38.13 86.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 110.166 179.445 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -66.83 -36.06 81.49 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.368 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.8 m -66.97 -45.86 76.39 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 176.158 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.73 -33.13 68.13 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.819 175.244 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.86 -42.23 81.66 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.142 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.93 96.66 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.703 -1.248 . . . . 0.0 108.454 178.408 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.9 m -68.24 -55.81 10.9 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 122.065 -0.397 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.1 -38.9 58.84 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 177.186 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -68.89 -27.8 66.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.835 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.01 -22.29 12.27 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.499 1.045 . . . . 0.0 113.623 177.301 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.5 m -157.33 91.7 1.19 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 128.349 2.66 . . . . 0.0 108.941 -178.127 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.53 -73.76 0.11 Allowed Glycine 0 N--CA 1.467 0.755 0 C-N-CA 124.09 0.853 . . . . 0.0 112.051 -177.537 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.294 20.6 p -117.87 -56.78 0.04 OUTLIER Pre-proline 0 N--CA 1.477 0.898 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 177.462 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -74.38 -26.26 12.4 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 CA-C-N 123.322 2.222 . . . . 0.0 115.083 -177.338 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.363 0 CA-C-N 118.729 0.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -77.16 -26.21 52.77 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -177.392 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -164.18 -179.37 6.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.168 1.387 . . . . 0.0 110.389 179.394 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.75 -52.13 61.14 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.992 0.917 . . . . 0.0 110.884 178.089 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -56.8 -47.11 80.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.383 1.073 . . . . 0.0 113.368 179.939 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -65.6 -33.92 77.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.122 1.328 . . . . 0.0 110.792 177.446 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.61 -38.31 80.5 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 118.159 0.436 . . . . 0.0 109.881 176.408 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.01 1.724 . . . . 0.0 108.914 176.92 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.3 mt -56.69 -47.6 79.52 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.43 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.76 97.72 Favored Glycine 0 C--N 1.348 1.205 0 N-CA-C 112.123 -0.391 . . . . 0.0 112.123 179.123 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.59 -46.92 71.23 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 115.275 -2.297 . . . . 0.0 109.508 177.287 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.59 -40.93 84.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 120.236 1.38 . . . . 0.0 111.348 177.791 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 117.033 -1.461 . . . . 0.0 109.685 176.377 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.62 -43.14 90.45 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.741 175.797 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.24 -40.28 95.63 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 119.1 0.864 . . . . 0.0 108.986 177.943 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -34.81 77.29 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.434 -1.416 . . . . 0.0 109.646 177.321 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -42.86 99.76 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.387 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -58.1 -48.85 78.92 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.818 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.65 -42.51 88.53 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 117.716 -1.135 . . . . 0.0 109.396 -179.739 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.77 -45.2 94.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 120.088 1.313 . . . . 0.0 109.775 176.571 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -62.44 -39.69 94.17 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.827 -1.171 . . . . 0.0 110.071 178.063 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.07 -48.21 74.55 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.04 177.995 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.94 -41.54 99.52 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 119.754 1.161 . . . . 0.0 111.309 178.207 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -32.55 72.91 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.854 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -76.4 -55.09 5.87 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.1 1.36 . . . . 0.0 109.576 178.175 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -55.35 -39.9 70.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.92 1.688 . . . . 0.0 113.125 -177.721 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.9 p -62.56 -17.61 60.33 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 176.88 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.88 -29.16 4.46 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 125.643 1.592 . . . . 0.0 111.529 176.847 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -160.65 100.38 1.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.261 1.424 . . . . 0.0 109.678 -179.757 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.75 -102.54 0.18 Allowed Glycine 0 C--N 1.338 0.639 0 C-N-CA 128.057 2.742 . . . . 0.0 107.778 -177.545 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . 0.257 0.1 OUTLIER -100.3 -63.14 0.08 OUTLIER Pre-proline 0 N--CA 1.482 1.154 0 CA-C-O 115.388 -2.244 . . . . 0.0 109.993 176.556 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -66.37 -36.89 25.53 Favored 'Trans proline' 0 C--N 1.357 0.984 0 CA-C-N 122.626 1.973 . . . . 0.0 110.599 178.101 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.064 0 O-C-N 119.551 -1.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -97.52 -36.4 10.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -177.356 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -151.91 173.63 14.58 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.935 1.294 . . . . 0.0 110.088 177.779 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.89 -44.24 78.01 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 118.653 -0.689 . . . . 0.0 112.15 -177.223 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -61.05 -48.43 81.79 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.702 1.137 . . . . 0.0 112.318 177.29 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.5 p -67.45 -27.66 67.23 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 119.789 1.177 . . . . 0.0 110.989 177.55 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -44.21 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.466 -0.771 . . . . 0.0 109.946 178.347 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.71 -49.06 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.166 1.386 . . . . 0.0 108.878 176.809 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.49 -41.98 95.39 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.518 1.054 . . . . 0.0 109.572 177.222 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.91 -45.22 96.23 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.013 0.816 . . . . 0.0 111.591 177.223 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.66 -47.11 76.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 118.607 1.204 . . . . 0.0 109.155 177.077 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.91 -54.69 39.37 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.479 1.512 . . . . 0.0 110.683 177.365 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.9 m -60.54 -35.69 76.62 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.691 0.678 . . . . 0.0 111.035 179.811 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -51.53 61.5 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.424 1.011 . . . . 0.0 109.939 177.146 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -64.64 -33.34 75.71 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.096 0.862 . . . . 0.0 111.521 177.485 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -69.69 -35.35 75.01 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.739 1.154 . . . . 0.0 108.501 177.225 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -67.64 -34.26 76.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.947 1.248 . . . . 0.0 107.713 176.384 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -70.58 -39.45 73.87 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.571 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.52 -41.2 98.71 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 176.784 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.86 -37.0 85.12 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.204 0.911 . . . . 0.0 108.73 177.168 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -68.29 -42.47 79.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.511 1.124 . . . . 0.0 108.709 177.345 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -63.37 -36.9 85.25 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.697 1.135 . . . . 0.0 108.736 177.318 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.57 -45.36 79.55 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 179.603 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.65 79.52 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.303 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 m -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.653 1.181 . . . . 0.0 108.89 178.162 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -60.96 -34.9 75.46 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.876 0.762 . . . . 0.0 111.898 177.654 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.6 p -69.14 -15.14 63.35 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.332 0.969 . . . . 0.0 111.992 177.558 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.13 -44.79 1.44 Allowed Glycine 0 C--N 1.346 1.116 0 C-N-CA 126.098 1.808 . . . . 0.0 109.393 -177.602 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -147.09 83.84 1.58 Allowed 'General case' 0 CA--C 1.538 0.514 0 O-C-N 119.967 -1.902 . . . . 0.0 110.28 179.776 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.22 -79.99 0.05 OUTLIER Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.916 1.722 . . . . 0.0 110.48 178.884 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.581 ' HB ' ' HD3' ' A' ' 32' ' ' PRO 0.286 97.9 m -111.19 -82.68 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.809 0 CA-C-O 117.041 -1.457 . . . . 0.0 108.622 177.379 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.581 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 44.0 Cg_exo -58.02 -28.52 83.56 Favored 'Trans proline' 0 CA--C 1.555 1.555 0 CA-C-N 123.69 2.354 . . . . 0.0 115.095 176.395 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.579 0 CA-C-N 120.696 1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -87.17 -47.19 9.07 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -177.507 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -146.41 175.76 10.3 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.481 1.037 . . . . 0.0 111.285 -177.807 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp -49.08 -54.28 16.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.88 0.872 . . . . 0.0 112.674 179.035 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -57.65 -50.1 74.29 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.052 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.1 p -65.83 -35.37 80.48 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 120.057 1.298 . . . . 0.0 111.257 178.749 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -42.51 73.77 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.265 -0.897 . . . . 0.0 111.585 177.33 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.15 -42.02 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.543 1.065 . . . . 0.0 109.313 176.731 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.56 -42.05 95.83 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.171 1.351 . . . . 0.0 108.03 177.785 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.28 99.52 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 177.211 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -64.79 -41.42 95.84 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 117.662 -1.161 . . . . 0.0 109.415 176.966 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.57 -45.21 95.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.643 1.11 . . . . 0.0 108.24 176.761 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.0 m -59.62 -37.92 79.94 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.051 0.841 . . . . 0.0 110.58 176.801 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -63.91 -47.97 78.45 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.758 1.223 . . . . 0.0 109.664 176.654 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.33 -33.29 74.94 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.641 1.109 . . . . 0.0 109.294 178.681 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.83 -37.84 82.44 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 121.241 1.837 . . . . 0.0 108.501 176.576 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -65.55 -37.14 85.85 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.995 1.318 . . . . 0.0 107.779 176.813 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.27 -41.12 90.35 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.188 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.1 mt -62.76 -40.37 97.06 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.245 1.384 . . . . 0.0 107.667 179.968 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.57 -35.52 81.07 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.979 -1.076 . . . . 0.0 110.07 176.575 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -64.81 -44.38 90.07 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 108.468 176.286 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.79 -43.17 99.5 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.596 -1.315 . . . . 0.0 109.245 178.357 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.35 -43.52 96.41 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.902 1.281 . . . . 0.0 110.758 177.22 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.1 75.53 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.794 0.838 . . . . 0.0 109.862 177.322 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.3 m -60.7 -48.4 81.96 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.115 -0.991 . . . . 0.0 109.812 179.087 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.696 1.199 . . . . 0.0 111.572 -179.037 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -65.02 -17.58 64.56 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 176.729 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.75 -30.86 6.59 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.382 1.468 . . . . 0.0 112.239 176.566 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.3 m -162.94 98.37 0.95 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.826 2.45 . . . . 0.0 110.087 179.06 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.62 -120.73 0.78 Allowed Glycine 0 N--CA 1.469 0.889 0 C-N-CA 125.688 1.613 . . . . 0.0 110.454 -177.491 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.499 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 22.7 m -80.04 -57.14 0.68 Allowed Pre-proline 0 N--CA 1.485 1.306 0 CA-C-O 117.172 -1.394 . . . . 0.0 109.873 176.524 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 13.7 Cg_exo -69.26 -43.55 3.0 Favored 'Trans proline' 0 CA--C 1.557 1.665 0 C-N-CA 122.535 2.157 . . . . 0.0 110.092 175.418 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.844 0 CA-C-N 120.431 1.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -79.19 -44.03 22.7 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -177.61 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -149.26 178.75 8.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.591 1.156 . . . . 0.0 111.544 -176.567 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.9 tp -50.67 -56.31 12.47 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.773 0.829 . . . . 0.0 111.376 177.663 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -52.2 -52.41 52.35 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.483 1.513 . . . . 0.0 112.913 -179.279 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.8 p -65.99 -33.39 75.7 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 118.661 0.664 . . . . 0.0 111.71 177.806 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.92 74.28 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.041 0.837 . . . . 0.0 110.944 177.225 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.22 -48.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.131 1.332 . . . . 0.0 108.738 177.353 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 mt -54.87 -46.21 74.7 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.063 0.847 . . . . 0.0 109.391 177.296 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.76 98.32 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 177.725 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.69 -44.97 95.92 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.166 1.483 . . . . 0.0 109.54 177.118 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -58.22 -48.98 78.68 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 119.365 0.984 . . . . 0.0 109.359 177.155 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -39.68 89.81 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 117.989 -1.005 . . . . 0.0 111.995 177.608 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.38 -46.77 78.79 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.121 0.969 . . . . 0.0 111.04 177.115 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.41 -38.64 90.54 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.914 1.234 . . . . 0.0 109.764 177.1 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -63.54 -30.58 71.68 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.971 -1.08 . . . . 0.0 110.926 175.587 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -68.84 -48.28 63.9 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 176.857 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -58.38 -42.49 87.15 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.36 1.064 . . . . 0.0 109.469 177.086 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.12 -42.31 98.3 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.676 -0.678 . . . . 0.0 109.369 177.052 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.39 -39.72 94.15 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.039 0.836 . . . . 0.0 109.021 176.879 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -65.86 -45.42 82.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.182 0.901 . . . . 0.0 109.944 177.947 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -60.18 -45.05 94.44 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.807 0.843 . . . . 0.0 109.656 177.249 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.97 -45.12 95.02 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.415 1.086 . . . . 0.0 110.433 178.061 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.57 68.87 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.526 1.131 . . . . 0.0 111.347 177.765 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -76.66 -47.8 20.99 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 176.317 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.09 -39.64 79.09 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.518 1.527 . . . . 0.0 113.2 179.287 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.6 p -65.81 -21.0 66.46 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.522 1.129 . . . . 0.0 112.9 177.444 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.19 -26.55 6.93 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.837 1.208 . . . . 0.0 113.131 177.241 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -158.9 89.83 0.96 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.791 2.036 . . . . 0.0 110.818 178.043 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.99 -102.72 0.17 Allowed Glycine 0 CA--C 1.535 1.305 0 CA-C-O 119.134 -0.815 . . . . 0.0 111.606 -178.972 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -95.4 -64.37 0.12 Allowed Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.136 -1.411 . . . . 0.0 111.206 177.55 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 14.7 Cg_exo -71.1 -29.03 18.24 Favored 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 122.459 2.106 . . . . 0.0 112.927 177.189 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.017 0 CA-C-N 118.696 0.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -90.38 -35.29 15.28 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 178.92 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -152.52 173.38 15.23 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.958 1.303 . . . . 0.0 110.327 176.664 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.23 -42.82 82.13 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.077 -1.014 . . . . 0.0 113.158 -178.366 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -63.5 -47.44 81.69 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.087 0.555 . . . . 0.0 111.881 178.243 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -62.44 -30.49 71.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.128 0.876 . . . . 0.0 110.466 176.724 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -45.56 77.74 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.62 0.768 . . . . 0.0 108.971 177.311 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.15 -51.6 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.726 1.21 . . . . 0.0 109.994 177.272 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.62 -48.83 71.76 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.773 0.715 . . . . 0.0 110.736 177.182 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.23 90.8 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.078 0.847 . . . . 0.0 111.735 177.505 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.4 -48.39 81.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.328 1.064 . . . . 0.0 110.721 176.903 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.9 mt -54.97 -46.77 75.09 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.572 1.078 . . . . 0.0 111.261 177.071 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.0 m -64.86 -41.02 96.02 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.893 177.767 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -45.6 92.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.722 0.809 . . . . 0.0 111.998 177.057 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.94 -41.66 92.33 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.358 0.981 . . . . 0.0 109.481 177.523 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.5 mt -63.96 -36.39 83.79 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 121.213 -0.93 . . . . 0.0 110.825 176.626 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.81 -41.72 97.84 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.945 1.298 . . . . 0.0 110.46 176.601 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -61.99 -49.42 76.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.999 0.92 . . . . 0.0 108.792 176.743 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.1 mt -54.99 -45.39 75.01 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.329 1.052 . . . . 0.0 111.169 177.581 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -63.74 -37.51 87.63 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.117 0.871 . . . . 0.0 110.965 177.222 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.7 m -66.21 -42.67 88.42 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 110.363 177.385 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -62.46 -47.35 84.41 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.081 0.952 . . . . 0.0 108.942 177.487 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.75 -55.03 39.41 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.403 1.481 . . . . 0.0 110.813 177.659 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.23 -52.92 18.91 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.737 1.215 . . . . 0.0 110.422 177.497 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 m -58.98 -52.84 64.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.149 0.98 . . . . 0.0 111.674 178.192 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.42 -30.62 65.11 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 113.528 -177.545 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.4 p -58.75 -38.08 77.66 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 119.679 1.127 . . . . 0.0 112.735 179.371 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.68 -24.1 6.55 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.197 0.903 . . . . 0.0 114.499 -179.863 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -136.95 65.35 1.51 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.36 1.464 . . . . 0.0 110.399 -178.106 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.87 -78.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.087 -0.841 . . . . 0.0 113.777 -179.011 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.469 ' HB ' ' HD3' ' A' ' 32' ' ' PRO 0.251 0.2 OUTLIER -116.41 -64.31 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -177.457 . . . . . . . . 4 4 . 1 . 076 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 21.5 Cg_exo -65.27 -46.57 5.6 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.602 2.202 . . . . 0.0 113.528 -177.607 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 O-C-N 120.612 -1.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 p -65.46 -52.18 54.86 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.52 2.044 . . . . 0.0 116.52 -177.341 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -145.55 171.38 14.77 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.964 1.256 . . . . 0.0 110.897 177.323 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.7 tp -53.65 -54.61 35.3 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.407 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -58.46 -46.68 86.1 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.878 0.871 . . . . 0.0 112.803 -178.999 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -67.48 -30.79 70.58 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.174 0.897 . . . . 0.0 110.934 176.933 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.24 -44.68 78.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.646 0.779 . . . . 0.0 110.296 176.617 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.17 -48.98 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.144 0.883 . . . . 0.0 108.741 177.468 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.8 tp -54.07 -55.93 22.82 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.364 1.066 . . . . 0.0 110.532 177.169 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.1 -40.93 92.26 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 123.548 0.594 . . . . 0.0 113.874 178.235 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.19 -51.14 65.22 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.873 0.869 . . . . 0.0 109.274 177.715 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.65 -36.34 78.45 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.512 0.725 . . . . 0.0 111.513 177.871 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -62.92 -37.81 88.46 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.813 1.188 . . . . 0.0 110.51 176.308 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -36.68 75.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.912 0.885 . . . . 0.0 109.883 176.831 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.26 -39.49 89.5 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.765 -1.21 . . . . 0.0 108.218 176.838 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.0 -30.78 71.39 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.113 -0.992 . . . . 0.0 109.191 176.725 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -67.11 -45.39 77.36 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 177.712 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -58.41 -44.07 88.88 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.023 0.828 . . . . 0.0 109.07 176.704 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -61.22 -37.52 83.33 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 117.263 -1.351 . . . . 0.0 110.119 177.047 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.93 -39.0 92.83 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 120.413 1.461 . . . . 0.0 108.363 176.795 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 m -63.9 -42.5 97.42 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.945 0.793 . . . . 0.0 109.559 176.763 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -64.64 -40.89 96.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.563 0.745 . . . . 0.0 110.412 177.331 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.66 -46.36 85.96 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.748 1.219 . . . . 0.0 111.007 177.257 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.06 71.64 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.246 177.571 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.0 m -73.44 -54.38 8.41 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 108.941 177.328 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -57.37 -32.41 66.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.219 1.808 . . . . 0.0 114.996 -177.363 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 p -63.21 -27.7 69.54 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.492 0.587 . . . . 0.0 112.469 177.541 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -104.37 -66.52 0.7 Allowed Glycine 0 CA--C 1.537 1.417 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.04 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.3 m -90.94 76.28 6.27 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.374 2.269 . . . . 0.0 109.495 177.452 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.13 -85.34 0.07 OUTLIER Glycine 0 CA--C 1.531 1.085 0 N-CA-C 116.212 1.245 . . . . 0.0 116.212 177.447 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.505 ' HB ' ' HD3' ' A' ' 32' ' ' PRO 0.261 1.0 OUTLIER -108.25 -63.13 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.966 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -177.269 . . . . . . . . 4 4 . 1 . 077 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 17.0 Cg_exo -68.38 -31.42 28.07 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.743 2.296 . . . . 0.0 114.587 -179.552 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.031 0 O-C-N 120.712 -1.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 118.519 -0.753 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 p -78.64 -46.02 20.2 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 117.38 2.363 . . . . 0.0 117.38 -177.248 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -147.74 174.03 12.21 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.038 1.29 . . . . 0.0 111.843 178.903 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.59 -56.38 12.01 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.421 1.088 . . . . 0.0 112.382 -178.45 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -59.56 -45.33 92.15 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.318 1.047 . . . . 0.0 113.57 178.884 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.1 p -67.96 -34.99 77.63 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 119.471 1.032 . . . . 0.0 109.793 179.38 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -42.57 88.8 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.657 0.662 . . . . 0.0 110.09 177.192 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 t -64.13 -50.75 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.015 0.926 . . . . 0.0 109.581 177.414 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 mt -53.57 -48.81 68.83 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.348 1.059 . . . . 0.0 110.32 177.383 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.09 -51.65 57.05 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.241 0.925 . . . . 0.0 112.518 177.246 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -57.84 -42.93 85.43 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.872 1.336 . . . . 0.0 110.295 178.014 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.45 -45.81 90.55 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.967 0.803 . . . . 0.0 110.573 177.255 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.8 m -65.21 -33.72 76.67 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 116.582 -1.675 . . . . 0.0 110.833 176.977 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.72 -46.8 74.34 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.858 1.208 . . . . 0.0 109.382 177.422 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.83 -37.92 87.5 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.816 -1.177 . . . . 0.0 108.889 178.846 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.0 mt -63.57 -33.64 76.04 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.026 -1.671 . . . . 0.0 108.592 177.045 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -65.84 -36.73 84.29 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 179.01 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -66.28 -42.45 88.41 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 176.746 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.43 -40.57 97.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.266 0.939 . . . . 0.0 110.242 177.26 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -63.75 -38.27 90.49 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.397 0.999 . . . . 0.0 108.866 176.763 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.0 m -64.95 -46.52 81.22 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.336 1.055 . . . . 0.0 108.318 177.114 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.39 -37.42 87.21 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.468 -1.395 . . . . 0.0 107.924 179.532 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.2 tp -60.87 -38.7 86.47 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.176 0.898 . . . . 0.0 110.083 178.947 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.37 -8.04 29.64 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.699 1.199 . . . . 0.0 113.75 176.387 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -104.6 -36.66 7.41 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 127.582 2.353 . . . . 0.0 106.72 177.387 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -63.67 -25.18 68.09 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 125.088 1.355 . . . . 0.0 109.625 -177.893 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.8 p -67.42 -0.21 3.49 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.49 1.916 . . . . 0.0 112.704 177.464 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.77 -78.44 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 128.552 2.977 . . . . 0.0 106.303 177.79 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -94.99 84.72 4.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.411 1.485 . . . . 0.0 109.224 178.444 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.99 -65.42 0.1 OUTLIER Glycine 0 CA--C 1.518 0.263 0 O-C-N 121.553 -0.717 . . . . 0.0 114.399 179.244 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 24.1 m -111.9 -58.13 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.147 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 178.34 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.465 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 40.4 Cg_exo -63.72 -47.09 7.65 Favored 'Trans proline' 0 CA--C 1.55 1.31 0 CA-C-N 122.924 2.08 . . . . 0.0 114.308 -179.4 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.45 0 CA-C-N 118.858 0.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 079 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 079 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -80.07 -58.4 3.17 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -177.386 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -135.39 172.29 13.22 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.684 1.129 . . . . 0.0 110.642 177.503 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.58 -56.04 24.95 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.712 0.805 . . . . 0.0 112.25 -177.519 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -58.59 -46.45 86.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 0.0 112.376 178.377 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 69.0 p -65.21 -24.69 67.43 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.531 1.06 . . . . 0.0 111.856 178.119 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -43.12 78.69 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.527 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.86 -58.41 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.009 1.323 . . . . 0.0 112.178 177.219 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.8 mt -57.66 -40.28 78.98 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.114 1.766 . . . . 0.0 110.217 179.995 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.63 -43.33 76.84 Favored Glycine 0 CA--C 1.543 1.801 0 CA-C-O 117.433 -1.76 . . . . 0.0 108.816 179.513 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -63.41 -40.65 97.77 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.343 2.072 . . . . 0.0 109.862 177.008 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.34 -41.62 93.98 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.806 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -68.91 -37.26 78.84 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -176.816 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -44.36 89.49 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 120.988 1.722 . . . . 0.0 108.056 177.323 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -61.89 -39.12 90.85 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.355 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.41 -35.77 82.0 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.072 -1.642 . . . . 0.0 107.611 -179.373 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.86 -44.12 90.74 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 124.283 1.033 . . . . 0.0 108.638 176.061 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -61.87 -37.83 86.03 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.967 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.95 -37.01 85.37 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 118.359 -0.829 . . . . 0.0 108.921 178.27 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.95 -43.57 92.26 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.218 0.917 . . . . 0.0 108.62 177.404 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -64.58 -43.03 95.16 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.48 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -62.36 -40.6 96.97 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.057 -1.027 . . . . 0.0 108.958 177.165 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -64.96 -39.82 94.06 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 120.721 -1.237 . . . . 0.0 110.413 177.99 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.73 68.02 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 118.657 0.662 . . . . 0.0 111.122 177.251 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.9 m -86.37 -38.21 17.65 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.91 1.684 . . . . 0.0 110.337 174.797 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.65 -30.89 67.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.016 1.727 . . . . 0.0 113.137 -178.224 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -63.71 3.33 0.37 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.897 2.079 . . . . 0.0 112.98 177.826 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -147.54 -76.84 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 C-N-CA 130.116 3.722 . . . . 0.0 107.353 -178.507 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -89.37 77.52 7.35 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 126.557 1.943 . . . . 0.0 110.769 178.336 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.35 -51.23 0.17 Allowed Glycine 0 CA--C 1.541 1.663 0 O-C-N 119.51 -1.994 . . . . 0.0 112.299 177.249 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.458 ' HB ' ' HD3' ' A' ' 32' ' ' PRO 0.268 99.2 m -116.61 -63.39 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.281 0 CA-C-O 116.755 -1.593 . . . . 0.0 110.977 179.278 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 53.2 Cg_exo -59.14 -47.52 17.24 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 123.194 2.176 . . . . 0.0 114.781 -178.677 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.025 0 CA-C-N 119.035 0.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 118.485 -0.769 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -67.64 -86.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.464 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -107.16 156.47 18.78 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.674 1.125 . . . . 0.0 112.501 -177.871 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.27 -48.31 79.21 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -177.568 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -58.41 -56.19 25.29 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.439 1.096 . . . . 0.0 113.053 -177.529 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -66.51 -34.52 78.1 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.545 0.611 . . . . 0.0 111.522 177.815 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 t -65.51 -45.0 85.24 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.288 0.949 . . . . 0.0 110.818 177.919 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.15 -48.99 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.75 177.129 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.97 -33.74 72.36 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.118 0.872 . . . . 0.0 110.916 177.202 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.7 -44.28 57.44 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 177.684 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.11 -44.08 89.91 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 118.238 1.019 . . . . 0.0 109.09 177.842 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.62 -46.21 89.65 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.971 0.908 . . . . 0.0 109.718 176.714 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -60.36 -39.31 86.72 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 123.847 0.859 . . . . 0.0 111.549 175.528 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.97 -49.87 73.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.349 1.06 . . . . 0.0 110.203 177.165 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -63.18 -38.49 91.39 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.293 -0.879 . . . . 0.0 109.79 178.201 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.1 -34.99 79.31 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 119.168 0.894 . . . . 0.0 109.038 177.083 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.63 -37.93 85.87 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.591 1.087 . . . . 0.0 109.461 176.403 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.33 -44.92 86.24 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.486 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.25 -39.53 90.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.733 1.151 . . . . 0.0 111.142 176.134 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.86 -40.86 98.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.133 1.373 . . . . 0.0 109.844 177.914 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 m -72.22 -42.28 65.91 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.52 1.128 . . . . 0.0 109.646 177.179 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -58.75 -41.19 85.95 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.115 1.366 . . . . 0.0 109.114 177.109 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 tp -59.93 -51.66 68.76 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.177 1.391 . . . . 0.0 110.044 177.938 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.37 -53.88 39.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.582 0.753 . . . . 0.0 109.951 178.107 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -61.17 -44.51 97.2 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 177.316 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -55.6 -35.85 66.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.406 1.483 . . . . 0.0 114.716 178.408 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.6 p -62.27 -10.34 10.63 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 177.688 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.0 -56.13 0.15 Allowed Glycine 0 N--CA 1.474 1.209 0 C-N-CA 126.723 2.106 . . . . 0.0 113.079 177.37 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -113.46 76.07 0.96 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.983 2.113 . . . . 0.0 110.85 176.65 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.24 -76.35 0.06 OUTLIER Glycine 0 CA--C 1.524 0.608 0 C-N-CA 125.77 1.652 . . . . 0.0 109.927 177.395 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.466 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 52.3 m -74.89 -55.06 2.51 Favored Pre-proline 0 N--CA 1.477 0.896 0 CA-C-O 117.441 -1.266 . . . . 0.0 112.953 177.699 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 24.1 Cg_exo -63.69 -52.82 1.6 Allowed 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.307 2.005 . . . . 0.0 114.02 176.692 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.111 0 O-C-N 123.391 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 081 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 117.222 -1.371 . . . . 0.0 108.705 . . . . . . . . . 0 0 . 1 . 081 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -72.36 -84.67 0.03 OUTLIER 'General case' 0 C--N 1.354 0.769 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -177.928 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -85.08 156.41 21.09 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 177.807 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.87 -48.31 77.22 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -179.524 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -54.71 -52.47 62.35 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.286 1.034 . . . . 0.0 112.942 -177.824 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 p -69.65 -30.75 68.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.725 178.86 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 t -65.02 -42.14 94.67 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 120.417 1.462 . . . . 0.0 108.769 -179.049 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.8 -47.78 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.668 177.27 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.72 -43.98 77.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.301 0.955 . . . . 0.0 111.195 177.028 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.81 85.15 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 126.395 1.95 . . . . 0.0 110.613 178.201 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.84 -49.77 74.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.732 1.266 . . . . 0.0 110.085 177.295 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -57.14 -44.91 83.83 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.222 0.919 . . . . 0.0 110.524 177.011 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.8 m -60.71 -39.13 87.4 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.907 0.883 . . . . 0.0 111.115 177.3 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.43 -49.38 69.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.816 0.847 . . . . 0.0 110.287 177.32 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.8 -45.85 91.05 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.815 -1.178 . . . . 0.0 109.722 177.6 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -60.26 -43.08 96.46 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.529 1.132 . . . . 0.0 109.159 177.054 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.29 -39.08 93.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.842 -1.161 . . . . 0.0 110.1 179.259 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -58.91 -48.1 82.65 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 119.888 -1.757 . . . . 0.0 108.515 177.327 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.44 -45.78 84.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.899 1.28 . . . . 0.0 108.156 177.308 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.567 1.624 0 C-N-CA 124.563 1.145 . . . . 0.0 108.408 -179.117 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -65.36 -48.55 72.58 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.551 1.069 . . . . 0.0 110.718 178.247 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -58.17 -49.39 77.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.54 0.736 . . . . 0.0 111.302 177.404 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.32 -51.23 70.4 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.118 1.767 . . . . 0.0 111.814 179.055 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.26 77.93 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.169 0.988 . . . . 0.0 110.719 177.564 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -67.1 -46.04 75.43 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.225 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -57.31 -38.55 74.2 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.289 1.836 . . . . 0.0 112.889 -178.925 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -11.34 19.9 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 177.062 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.05 -56.45 0.33 Allowed Glycine 0 CA--C 1.555 2.553 0 C-N-CA 127.267 2.365 . . . . 0.0 110.639 175.982 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -128.73 85.19 2.3 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.827 2.051 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.87 -69.0 0.05 OUTLIER Glycine 0 N--CA 1.466 0.697 0 N-CA-C 107.643 -2.183 . . . . 0.0 107.643 176.943 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.406 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 93.4 m -84.85 -53.49 0.48 Allowed Pre-proline 0 CA--C 1.541 0.627 0 O-C-N 125.003 1.061 . . . . 0.0 111.304 177.278 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 16.0 Cg_exo -72.22 -50.5 0.25 Allowed 'Trans proline' 0 CA--C 1.565 2.073 0 CA-C-O 115.18 -2.092 . . . . 0.0 115.126 177.803 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.442 0 CA-C-N 121.413 1.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 082 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 082 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -63.65 -66.4 0.55 Allowed 'General case' 0 CA--C 1.561 1.39 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -176.967 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -132.41 163.48 28.65 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.839 1.199 . . . . 0.0 112.596 179.819 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.29 -52.9 61.94 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.435 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -52.92 -55.05 26.18 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.501 1.52 . . . . 0.0 112.903 -177.997 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.8 p -66.65 -38.19 86.35 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.203 -0.903 . . . . 0.0 112.0 177.698 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.29 -43.46 81.71 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.644 1.111 . . . . 0.0 113.201 -179.61 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.44 -52.98 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 119.137 0.881 . . . . 0.0 110.267 177.344 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.5 -44.85 93.0 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.729 0.412 . . . . 0.0 111.191 177.553 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.64 -44.81 93.84 Favored Glycine 0 N--CA 1.475 1.234 0 C-N-CA 124.339 0.971 . . . . 0.0 112.1 177.319 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -64.84 -40.86 95.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.177 0.989 . . . . 0.0 110.087 177.345 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.83 -41.97 98.46 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.551 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 m -62.89 -40.8 98.64 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.754 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.33 -47.58 85.42 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.798 1.239 . . . . 0.0 110.837 177.329 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.068 0.849 . . . . 0.0 110.009 177.472 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.88 -37.88 88.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.359 0.664 . . . . 0.0 109.666 177.702 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -62.34 -40.98 98.13 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -178.189 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -57.94 -46.53 84.91 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.464 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -60.54 -43.38 97.27 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.015 0.926 . . . . 0.0 109.89 178.248 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -60.16 -48.25 82.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.397 1.079 . . . . 0.0 109.861 177.121 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.3 m -62.99 -41.85 99.68 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.432 -0.792 . . . . 0.0 109.658 177.993 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -60.62 -48.74 80.43 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.393 -1.442 . . . . 0.0 107.995 -179.631 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.56 -49.59 76.92 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 119.32 0.964 . . . . 0.0 110.7 178.052 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -10.93 6.47 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.63 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -109.54 -36.95 5.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.64 1.576 . . . . 0.0 109.545 179.568 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -57.65 -31.63 66.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.47 1.508 . . . . 0.0 114.215 -176.842 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -61.58 -17.82 56.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.977 1.311 . . . . 0.0 113.13 178.516 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.2 -60.5 0.21 Allowed Glycine 0 CA--C 1.531 1.036 0 C-N-CA 126.656 2.074 . . . . 0.0 112.075 177.124 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.3 m -111.21 73.83 0.84 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.275 1.83 . . . . 0.0 111.233 -179.177 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.33 -67.87 0.05 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 126.215 1.864 . . . . 0.0 111.617 177.373 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.497 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 18.2 m -82.73 -54.31 0.58 Allowed Pre-proline 0 N--CA 1.478 0.934 0 CA-C-O 117.01 -1.472 . . . . 0.0 113.555 177.131 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 16.8 Cg_exo -63.8 -66.1 0.05 OUTLIER 'Trans proline' 0 CA--C 1.563 1.94 0 C-N-CA 123.268 2.645 . . . . 0.0 115.584 173.808 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.896 0 O-C-N 124.256 0.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 083 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 118.2 -0.905 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 083 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 p -89.98 -73.38 0.52 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.46 1.104 . . . . 0.0 112.31 -178.759 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -111.83 158.46 19.37 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.208 1.003 . . . . 0.0 111.573 177.19 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp -58.64 -53.41 58.67 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -177.351 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -54.36 -34.71 61.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.855 1.262 . . . . 0.0 113.597 -177.306 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.8 p -94.5 -16.11 23.6 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.365 -0.834 . . . . 0.0 112.993 177.343 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 t -50.46 -64.69 0.73 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.479 1.512 . . . . 0.0 114.63 -177.283 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.12 -42.69 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.455 -178.027 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.47 -34.06 77.33 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.187 0.903 . . . . 0.0 111.609 177.421 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.95 59.64 Favored Glycine 0 C--N 1.339 0.736 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 176.737 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -56.9 -53.8 53.81 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.506 1.122 . . . . 0.0 108.058 177.026 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.9 mt -56.62 -43.77 80.54 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.829 1.252 . . . . 0.0 112.484 178.636 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.8 m -63.92 -41.68 97.58 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.358 0.527 . . . . 0.0 112.194 177.464 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.24 -41.45 85.61 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.534 0.606 . . . . 0.0 109.751 176.531 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -62.49 -42.1 99.26 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.205 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.0 -41.47 99.59 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.393 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.06 -41.02 91.46 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.981 0.912 . . . . 0.0 109.782 178.036 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.12 -49.94 70.21 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 177.401 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.26 -43.7 83.24 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.692 1.197 . . . . 0.0 111.542 177.396 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -61.56 -37.94 85.67 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.023 0.929 . . . . 0.0 110.273 176.464 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.7 m -67.05 -44.09 81.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.595 1.158 . . . . 0.0 110.93 176.301 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -61.14 -43.75 98.4 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.416 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.73 -42.53 99.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.945 1.298 . . . . 0.0 111.294 177.878 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.02 93.06 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.324 0.65 . . . . 0.0 109.892 179.373 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.7 m -58.51 -38.49 77.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.533 1.133 . . . . 0.0 111.981 176.655 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 22.3 t-20 -55.23 -47.19 75.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.781 1.233 . . . . 0.0 112.623 -179.15 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -26.4 2.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 127.259 2.224 . . . . 0.0 116.43 -177.935 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.52 -22.03 0.63 Allowed Glycine 0 N--CA 1.476 1.317 0 N-CA-C 116.163 1.225 . . . . 0.0 116.163 -178.605 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.4 m -128.77 -0.69 5.4 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.082 1.441 . . . . 0.0 114.801 -176.899 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 26' ' ' ASN . . . -97.17 -79.55 1.47 Allowed Glycine 0 C--N 1.339 0.707 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 177.785 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.423 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 26.9 m -74.25 -55.48 2.91 Favored Pre-proline 0 N--CA 1.485 1.313 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.75 -178.065 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 23.6 Cg_exo -66.26 -28.28 47.69 Favored 'Trans proline' 0 CA--C 1.547 1.156 0 CA-C-N 122.519 1.935 . . . . 0.0 113.891 177.567 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.222 0 CA-C-N 119.011 0.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 084 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 118.212 -0.899 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 084 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -93.07 -71.31 0.66 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 -177.293 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -117.98 154.88 31.22 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.086 -1.009 . . . . 0.0 112.008 -178.417 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.99 -40.63 89.84 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.514 -0.741 . . . . 0.0 112.591 -177.318 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -48.82 -40.14 28.12 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.462 1.905 . . . . 0.0 113.315 177.171 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.1 p -98.76 -29.37 13.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 177.514 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.4 -50.97 71.91 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.431 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.68 -57.02 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.933 1.242 . . . . 0.0 111.022 -177.435 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.51 -42.88 83.65 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.849 -0.532 . . . . 0.0 110.964 177.268 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.54 -47.86 87.63 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.758 1.171 . . . . 0.0 112.395 177.354 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -61.35 -44.21 97.57 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.725 1.262 . . . . 0.0 110.227 177.454 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.12 -53.11 62.0 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.58 0.627 . . . . 0.0 109.962 177.236 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -58.2 -45.38 87.73 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.442 1.097 . . . . 0.0 112.789 177.997 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.9 -43.21 96.66 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.512 1.051 . . . . 0.0 113.047 -178.792 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.41 -36.77 74.23 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 117.065 -1.445 . . . . 0.0 110.265 176.052 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -62.85 -36.43 83.21 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 119.016 0.826 . . . . 0.0 110.347 177.1 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -59.82 -41.39 91.18 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.58 1.152 . . . . 0.0 109.599 178.956 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.01 -48.13 77.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.423 -0.798 . . . . 0.0 108.965 177.991 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt -55.88 -42.22 75.61 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 124.736 1.215 . . . . 0.0 109.222 177.412 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -60.5 -41.18 93.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.701 1.2 . . . . 0.0 110.417 177.127 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -62.32 -46.11 90.2 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.492 -1.38 . . . . 0.0 109.738 175.963 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -64.42 -34.3 77.87 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 118.978 0.808 . . . . 0.0 111.678 176.93 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.27 -39.9 92.1 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.497 176.61 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.65 93.29 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.445 1.09 . . . . 0.0 108.552 176.583 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -67.19 -41.16 86.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.928 -1.108 . . . . 0.0 108.713 179.95 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.65 -48.61 80.99 Favored 'General case' 0 CA--C 1.552 1.035 0 O-C-N 121.007 -1.058 . . . . 0.0 113.039 177.124 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -71.52 -30.62 66.14 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 178.365 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.77 -59.16 1.28 Allowed Glycine 0 C--N 1.346 1.095 0 N-CA-C 117.183 1.633 . . . . 0.0 117.183 -177.886 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.5 m -101.4 -10.11 20.52 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -177.899 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.33 -62.67 1.09 Allowed Glycine 0 N--CA 1.472 1.072 0 O-C-N 118.644 -2.535 . . . . 0.0 113.659 -176.793 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.44 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 24.2 m -69.46 -53.58 12.6 Favored Pre-proline 0 N--CA 1.488 1.448 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -177.909 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 17.0 Cg_exo -68.31 -5.01 13.91 Favored 'Trans proline' 0 CA--C 1.564 1.983 0 CA-C-O 113.657 -2.726 . . . . 0.0 117.83 175.37 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.72 0 O-C-N 126.028 2.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 085 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.504 2.241 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 . . . . . . . . . 0 0 . 1 . 085 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -54.28 -74.07 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 117.725 2.491 . . . . 0.0 117.725 -179.611 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -117.43 152.99 33.86 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 122.418 1.104 . . . . 0.0 113.928 -179.539 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.05 -46.05 90.83 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.204 1.002 . . . . 0.0 112.261 -177.403 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -48.43 -60.83 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.717 2.007 . . . . 0.0 113.386 -178.745 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.2 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 119.511 -0.281 . . . . 0.0 111.369 -179.87 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.3 t -67.02 -40.32 87.24 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.055 -1.028 . . . . 0.0 113.717 -178.657 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.88 -49.69 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 CA-C-N 119.148 0.885 . . . . 0.0 109.777 177.291 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.59 -42.59 98.27 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.194 178.892 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.9 -51.52 56.64 Favored Glycine 0 N--CA 1.472 1.087 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 177.188 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -59.91 -52.03 67.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 118.316 -0.849 . . . . 0.0 108.942 178.742 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.19 -48.97 77.42 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.824 0.738 . . . . 0.0 112.809 -178.328 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.8 m -60.56 -34.95 74.92 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 119.111 0.869 . . . . 0.0 109.537 177.132 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -70.94 -39.73 72.46 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 116.156 -1.878 . . . . 0.0 107.532 179.448 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -64.17 -39.96 95.11 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 -179.821 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.44 -38.22 90.31 Favored 'General case' 0 C--N 1.379 1.861 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.823 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -69.83 -31.51 69.43 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 117.997 -1.002 . . . . 0.0 110.335 -179.411 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -62.06 -40.53 96.11 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.905 1.23 . . . . 0.0 109.074 175.361 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.8 -38.03 89.05 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.206 0.941 . . . . 0.0 110.117 175.918 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.46 -35.28 80.42 Favored 'General case' 0 C--N 1.366 1.324 0 CA-C-N 118.715 0.689 . . . . 0.0 109.213 177.363 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 m -64.87 -44.42 89.74 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.017 -1.677 . . . . 0.0 108.77 178.45 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -64.87 -43.78 91.86 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 121.407 -0.808 . . . . 0.0 110.013 178.014 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.25 -44.22 95.44 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 126.251 1.82 . . . . 0.0 111.805 176.987 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -44.8 96.39 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 123.853 0.861 . . . . 0.0 109.779 176.306 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -62.76 -43.61 98.34 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 124.168 0.987 . . . . 0.0 109.739 177.832 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -61.74 -33.52 74.19 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 124.2 1.0 . . . . 0.0 110.459 178.154 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -75.88 -54.12 7.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.103 0.961 . . . . 0.0 112.991 177.342 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.89 -14.39 72.69 Favored Glycine 0 CA--C 1.541 1.684 0 N-CA-C 117.744 1.858 . . . . 0.0 117.744 -177.389 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.69 -20.96 0.82 Allowed 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 119.355 1.578 . . . . 0.0 113.58 -177.927 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.52 -51.68 4.24 Favored Glycine 0 N--CA 1.487 2.054 0 O-C-N 120.628 -1.295 . . . . 0.0 112.556 179.095 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.2 m -63.51 -47.82 82.46 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 126.611 1.965 . . . . 0.0 112.949 -178.28 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.4 -2.56 8.46 Favored 'Trans proline' 0 CA--C 1.548 1.178 0 C-N-CA 123.474 2.783 . . . . 0.0 115.698 177.121 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.678 0 O-C-N 118.915 -2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 086 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 . . . . . . . . . 0 0 . 1 . 086 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -63.82 -52.59 59.49 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 -177.326 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -116.96 170.44 8.63 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.018 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.8 mt -77.98 -78.68 0.13 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.138 1.375 . . . . 0.0 109.726 178.18 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 m -23.88 -69.41 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -178.085 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.261 80.1 p -68.83 -34.08 74.91 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 177.244 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.2 t -69.69 -39.56 76.88 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.089 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.37 -49.52 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.393 1.477 . . . . 0.0 108.762 177.026 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.89 -52.32 65.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.709 0.804 . . . . 0.0 110.798 177.497 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.23 59.51 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 123.867 0.746 . . . . 0.0 112.171 177.522 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -61.15 -50.39 73.35 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.632 0.773 . . . . 0.0 111.092 177.237 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.15 -52.8 57.58 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.057 1.343 . . . . 0.0 112.26 178.105 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -60.94 -36.84 80.39 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.462 0.705 . . . . 0.0 111.601 177.058 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -70.66 -41.26 72.33 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 119.825 1.193 . . . . 0.0 111.101 178.606 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -63.96 -37.52 87.72 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.045 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -66.07 -38.74 89.07 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.263 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -64.95 -37.59 88.15 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.44 -0.788 . . . . 0.0 110.066 178.69 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -62.02 -44.88 95.77 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 177.461 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.7 mt -63.13 -33.41 75.41 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-O 117.355 -1.307 . . . . 0.0 108.615 -179.734 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -66.24 -35.43 80.39 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 119.566 1.075 . . . . 0.0 109.108 176.321 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.5 m -65.66 -42.78 90.98 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.092 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -64.46 -44.84 89.8 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.035 0.534 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 tp -57.02 -49.2 76.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.121 1.768 . . . . 0.0 111.881 176.629 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.74 78.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.056 0.943 . . . . 0.0 110.474 177.858 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.2 m -59.03 -43.51 91.61 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.167 0.987 . . . . 0.0 111.874 178.133 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -65.26 -31.87 73.25 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.158 -0.964 . . . . 0.0 112.006 178.009 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.4 m -75.72 -46.85 28.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.367 1.467 . . . . 0.0 112.575 179.604 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.92 -18.04 48.97 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 116.589 1.395 . . . . 0.0 116.589 -178.81 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 m -130.25 -51.52 1.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.625 1.213 . . . . 0.0 113.807 -177.5 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.54 -26.49 64.61 Favored Glycine 0 C--N 1.352 1.47 0 N-CA-C 116.153 1.221 . . . . 0.0 116.153 -177.666 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.432 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 6.0 m -101.57 -51.51 0.17 Allowed Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 117.125 -1.416 . . . . 0.0 113.333 177.33 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.432 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 18.5 Cg_exo -72.05 -10.44 26.02 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 C-N-CA 123.346 2.698 . . . . 0.0 114.917 179.254 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.165 0 CA-C-N 120.773 1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 087 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 087 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.68 -59.69 3.81 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 117.287 2.329 . . . . 0.0 117.287 -178.478 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -125.93 163.68 22.45 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.075 1.35 . . . . 0.0 110.7 -179.589 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt -78.82 -36.2 43.0 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 174.556 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -42.71 -64.94 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.444 1.498 . . . . 0.0 114.608 -176.871 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.6 p -81.81 -19.95 40.09 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.282 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.92 -43.6 62.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 119.629 -1.92 . . . . 0.0 111.899 178.939 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.1 -52.5 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 124.637 1.175 . . . . 0.0 109.492 177.352 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -44.72 91.79 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.309 0.644 . . . . 0.0 111.147 177.425 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.28 -47.36 90.03 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.488 -0.618 . . . . 0.0 111.721 176.994 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.91 -46.51 87.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.1 177.29 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.2 mt -55.16 -51.75 65.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.932 1.242 . . . . 0.0 110.269 177.388 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -61.28 -40.31 93.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.582 0.753 . . . . 0.0 112.545 177.452 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -69.37 -42.14 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.667 1.122 . . . . 0.0 112.033 177.625 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -66.72 -34.58 78.15 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 120.38 1.445 . . . . 0.0 108.861 176.577 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.24 -44.11 96.13 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 174.582 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.78 -35.8 81.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 120.02 -1.675 . . . . 0.0 109.299 179.576 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -66.99 -40.14 87.31 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.173 -1.579 . . . . 0.0 107.393 178.67 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.64 -43.83 97.81 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 176.287 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.8 -36.87 82.37 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.769 -1.207 . . . . 0.0 109.163 177.03 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -64.99 -50.08 67.71 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.835 1.254 . . . . 0.0 109.841 176.043 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -58.09 -42.37 85.47 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.726 -1.234 . . . . 0.0 110.654 177.275 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.31 -44.88 95.49 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 126.065 1.746 . . . . 0.0 109.65 179.056 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.08 -53.31 57.27 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.874 1.27 . . . . 0.0 111.066 175.858 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.8 m -57.28 -38.76 74.44 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.087 -1.633 . . . . 0.0 110.864 177.178 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -68.26 -37.8 81.09 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.097 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.7 m -68.22 -43.34 78.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.173 1.389 . . . . 0.0 112.533 178.212 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.09 49.14 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 -177.056 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 m -136.02 -47.5 0.66 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.144 1.472 . . . . 0.0 114.567 179.429 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.43 -42.45 98.98 Favored Glycine 0 CA--C 1.538 1.509 0 O-C-N 121.023 -1.048 . . . . 0.0 113.757 -178.508 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.457 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 15.4 m -77.72 -51.03 1.88 Allowed Pre-proline 0 N--CA 1.475 0.823 0 CA-C-O 116.617 -1.659 . . . . 0.0 113.351 179.677 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 26.4 Cg_exo -72.6 -19.47 24.48 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 CA-C-O 115.287 -2.047 . . . . 0.0 115.76 178.163 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.582 0 CA-C-N 122.172 2.26 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 088 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 088 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -35.53 -73.46 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.453 2.701 . . . . 0.0 116.712 -177.181 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -131.0 155.74 46.32 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.984 1.313 . . . . 0.0 111.236 -178.542 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.5 -46.77 71.95 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.463 0.705 . . . . 0.0 112.357 -179.784 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -43.91 -56.0 4.21 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.843 1.657 . . . . 0.0 113.667 -177.288 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -77.57 -41.34 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -61.5 -35.03 76.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.555 0.742 . . . . 0.0 112.959 -177.692 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -66.68 -52.28 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.699 1.199 . . . . 0.0 109.945 177.249 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.3 mt -59.8 -51.63 68.94 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.14 0.976 . . . . 0.0 111.631 177.689 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.42 -49.74 50.44 Favored Glycine 0 N--CA 1.47 0.936 0 C-N-CA 124.621 1.105 . . . . 0.0 112.191 177.843 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -60.83 -50.14 74.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.599 177.483 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.1 tp -54.97 -47.58 74.36 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.556 178.426 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -43.36 91.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 117.536 -1.221 . . . . 0.0 112.296 177.539 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -67.43 -42.45 83.15 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.813 1.188 . . . . 0.0 112.038 177.034 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.42 -39.85 92.64 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.181 0.901 . . . . 0.0 109.157 179.695 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.2 -37.34 87.12 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.392 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.5 t60 -65.82 -39.12 90.57 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 122.019 -0.425 . . . . 0.0 110.164 177.53 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.87 -35.18 79.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.219 -0.926 . . . . 0.0 109.393 177.44 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 176.892 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -59.23 -41.81 89.54 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.541 1.064 . . . . 0.0 109.692 176.785 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -60.29 -54.58 44.03 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.622 1.169 . . . . 0.0 111.077 177.194 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -56.3 -45.54 80.21 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.728 -1.232 . . . . 0.0 112.064 177.797 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.82 -36.76 84.23 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.64 1.176 . . . . 0.0 112.225 176.762 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.81 -48.19 72.53 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.015 -1.053 . . . . 0.0 109.157 177.189 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.1 m -56.79 -41.17 77.22 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.617 1.567 . . . . 0.0 110.269 176.578 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -63.82 -41.71 97.81 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 120.479 -1.388 . . . . 0.0 110.101 178.463 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.4 m -69.48 -35.39 75.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.793 0.837 . . . . 0.0 111.733 -179.113 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.95 -24.89 23.89 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 115.974 1.149 . . . . 0.0 115.974 -177.14 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -135.45 -38.88 0.74 Allowed 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.767 1.283 . . . . 0.0 114.004 -178.261 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.13 -46.07 94.04 Favored Glycine 0 CA--C 1.539 1.578 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -178.618 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.406 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 94.6 m -71.76 -52.93 7.61 Favored Pre-proline 0 N--CA 1.468 0.439 0 CA-C-O 117.328 -1.32 . . . . 0.0 111.568 177.651 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 34.0 Cg_exo -57.19 -41.82 69.81 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.547 2.165 . . . . 0.0 113.282 178.119 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.124 0 O-C-N 121.358 -0.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 089 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 089 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -45.47 -63.81 0.87 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 -177.257 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -123.59 149.73 44.97 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.914 0.885 . . . . 0.0 112.211 -179.423 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.09 -47.03 72.45 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.035 0.934 . . . . 0.0 113.035 -179.864 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -45.31 -60.52 2.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.604 1.561 . . . . 0.0 113.72 -177.336 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -73.1 -37.28 66.79 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.51 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.8 t -69.12 -48.59 62.06 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.401 1.001 . . . . 0.0 113.684 -177.414 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.98 -55.09 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.733 1.213 . . . . 0.0 110.119 -179.283 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.06 -44.37 96.01 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.931 -0.557 . . . . 0.0 110.598 177.518 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.19 -49.92 54.08 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.775 1.178 . . . . 0.0 112.647 177.184 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -60.02 -50.79 72.33 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 117.569 0.684 . . . . 0.0 110.258 177.332 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -55.17 -45.92 75.77 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.11 0.564 . . . . 0.0 111.25 177.471 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -63.96 -41.38 97.59 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.82 0.848 . . . . 0.0 111.019 178.676 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.6 -45.21 87.92 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.431 1.014 . . . . 0.0 111.553 177.316 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -64.32 -38.66 91.84 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.685 -1.259 . . . . 0.0 109.138 177.103 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.82 -39.19 93.65 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.387 -0.821 . . . . 0.0 109.034 176.991 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -62.41 -40.8 97.72 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.605 1.162 . . . . 0.0 109.396 177.321 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -62.02 -42.21 98.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 177.411 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.87 -42.43 93.72 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.809 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -62.16 -38.01 87.4 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.467 177.137 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -63.32 -42.4 98.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.098 1.317 . . . . 0.0 109.839 176.93 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.08 -43.28 95.92 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.235 -0.915 . . . . 0.0 109.562 177.395 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.67 -45.95 90.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.098 0.959 . . . . 0.0 110.08 177.305 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.32 84.63 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.278 0.944 . . . . 0.0 109.706 177.277 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.3 m -62.8 -35.57 80.3 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.524 1.13 . . . . 0.0 110.438 177.059 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -69.88 -51.24 34.85 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.167 -0.958 . . . . 0.0 111.226 177.146 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -59.7 -26.91 65.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.444 1.497 . . . . 0.0 113.174 177.721 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.28 -48.75 2.34 Favored Glycine 0 N--CA 1.472 1.059 0 C-N-CA 124.356 0.979 . . . . 0.0 113.868 179.757 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -117.31 -48.99 2.6 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -177.355 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.08 -30.34 16.54 Favored Glycine 0 N--CA 1.477 1.406 0 N-CA-C 118.262 2.065 . . . . 0.0 118.262 -177.423 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 m -115.41 -51.75 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 CA-C-O 117.044 -1.455 . . . . 0.0 112.556 177.994 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -67.06 -9.78 26.25 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.32 2.013 . . . . 0.0 116.258 179.458 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 120.133 1.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 090 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.468 0.433 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 090 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -61.69 -36.43 80.87 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 118.109 2.633 . . . . 0.0 118.109 -175.076 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -145.44 156.08 43.53 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 120.726 1.603 . . . . 0.0 113.596 -178.119 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.55 -39.18 84.97 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.837 0.855 . . . . 0.0 111.554 177.541 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -45.02 -52.19 9.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.128 1.771 . . . . 0.0 112.681 -177.939 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -88.59 -40.49 13.32 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 178.041 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.36 -34.15 77.5 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.367 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -74.24 -52.8 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.905 0.882 . . . . 0.0 109.7 177.395 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.84 -44.97 91.07 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.188 0.595 . . . . 0.0 112.05 177.987 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.34 -49.63 67.39 Favored Glycine 0 CA--C 1.538 1.473 0 CA-C-N 118.993 0.815 . . . . 0.0 112.333 177.409 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.36 -42.17 98.88 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 119.137 -0.458 . . . . 0.0 110.766 177.197 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.37 -47.23 84.49 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.028 0.931 . . . . 0.0 109.727 177.416 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -61.74 -40.81 96.4 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.932 0.893 . . . . 0.0 110.2 177.79 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -64.37 -43.79 93.4 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-N 119.856 1.207 . . . . 0.0 109.808 178.351 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -65.56 -36.49 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.764 0.711 . . . . 0.0 109.99 176.346 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.85 -38.88 92.47 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.865 -1.772 . . . . 0.0 108.296 177.524 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -36.02 82.87 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 177.491 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.48 -48.59 72.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 176.561 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.0 mt -54.85 -45.55 74.53 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.938 1.295 . . . . 0.0 110.805 176.992 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -59.91 -47.73 84.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.026 0.93 . . . . 0.0 109.263 177.505 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.7 m -62.6 -40.11 95.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.064 1.345 . . . . 0.0 112.239 177.702 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -61.29 -52.55 64.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.348 1.059 . . . . 0.0 109.822 177.669 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.33 -51.16 70.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.313 1.045 . . . . 0.0 111.641 177.344 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.48 -45.48 76.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.528 0.731 . . . . 0.0 111.283 177.506 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.8 m -66.4 -38.04 86.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.809 0.844 . . . . 0.0 110.535 177.862 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -62.18 -43.26 99.22 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.278 0.945 . . . . 0.0 111.758 177.731 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -19.17 65.2 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.017 1.727 . . . . 0.0 113.116 178.32 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.78 -45.21 0.66 Allowed Glycine 0 N--CA 1.475 1.285 0 CA-C-N 119.454 1.025 . . . . 0.0 115.234 179.7 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 m -117.27 -9.82 10.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.726 2.01 . . . . 0.0 115.635 -178.149 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.66 -60.64 1.86 Allowed Glycine 0 N--CA 1.474 1.206 0 CA-C-N 119.748 1.158 . . . . 0.0 112.802 -178.253 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.6 m -90.54 -51.2 0.33 Allowed Pre-proline 0 N--CA 1.485 1.279 0 CA-C-O 117.296 -1.335 . . . . 0.0 112.35 -179.637 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.87 -36.75 22.3 Favored 'Trans proline' 0 CA--C 1.55 1.317 0 C-N-CA 122.084 1.856 . . . . 0.0 113.462 178.229 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.1 0 CA-C-N 119.414 1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 091 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 091 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.19 -43.59 61.39 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 129.53 3.132 . . . . 0.0 117.312 -176.451 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -139.64 155.02 47.66 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.708 1.203 . . . . 0.0 112.07 177.944 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -73.25 -36.78 66.45 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.683 0.793 . . . . 0.0 112.459 179.286 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -47.79 -50.51 25.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.858 1.663 . . . . 0.0 112.625 -177.594 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.3 p -84.02 -41.78 16.87 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.505 0.722 . . . . 0.0 112.494 177.673 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.6 t -63.24 -48.89 76.31 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.144 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.41 -57.12 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 119.204 0.911 . . . . 0.0 112.88 177.435 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.95 -40.06 94.43 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.753 0.821 . . . . 0.0 112.003 -179.738 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.15 -42.25 97.03 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 123.956 0.789 . . . . 0.0 112.077 176.263 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.39 -43.03 91.93 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 117.004 -1.474 . . . . 0.0 109.008 177.131 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.44 -39.21 70.01 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.154 0.909 . . . . 0.0 109.466 177.253 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -63.92 -46.11 86.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.794 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -64.92 -38.64 91.63 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.582 177.611 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.38 -44.46 94.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 178.983 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.3 -39.38 90.24 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.337 1.055 . . . . 0.0 109.21 177.025 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.58 -39.28 91.44 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.308 -0.87 . . . . 0.0 109.559 177.456 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -62.66 -35.69 80.45 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 120.655 -1.278 . . . . 0.0 109.025 176.667 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.24 -39.67 91.2 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 177.445 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -63.45 -39.47 94.56 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 120.38 -1.45 . . . . 0.0 108.399 176.99 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -64.94 -40.74 95.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 0.0 109.224 177.908 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.54 -42.4 95.75 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.026 -1.464 . . . . 0.0 108.348 177.112 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -56.39 -51.47 68.21 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 121.002 1.728 . . . . 0.0 109.394 178.139 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.34 -44.67 88.84 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.971 0.908 . . . . 0.0 111.521 177.421 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -60.91 -37.6 82.84 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.862 0.865 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -68.0 -54.55 17.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.102 1.361 . . . . 0.0 108.686 177.26 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.6 m -51.72 -36.64 47.68 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.629 1.972 . . . . 0.0 113.757 177.192 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.52 -36.07 6.31 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 118.111 -1.383 . . . . 0.0 115.653 -178.652 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.4 m -133.98 -49.01 0.8 Allowed 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.259 1.529 . . . . 0.0 114.724 -177.154 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.97 -42.31 47.23 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 116.316 1.286 . . . . 0.0 116.316 -177.164 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -53.67 0.28 Allowed Pre-proline 0 N--CA 1.479 0.98 0 CA-C-O 117.829 -1.081 . . . . 0.0 112.851 178.258 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -56.69 -45.57 35.88 Favored 'Trans proline' 0 CA--C 1.553 1.441 0 C-N-CA 123.436 2.757 . . . . 0.0 115.914 -179.313 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.362 1.147 0 CA-C-N 119.1 0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 092 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 . . . . . . . . . 0 0 . 1 . 092 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -70.44 -56.65 6.12 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 117.831 2.53 . . . . 0.0 117.831 -179.488 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -136.73 155.56 49.68 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.425 1.466 . . . . 0.0 113.583 -177.705 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.18 -42.57 99.39 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -179.835 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m -50.9 -30.5 14.84 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.356 1.863 . . . . 0.0 113.743 -178.288 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.4 p -111.43 -35.42 5.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.024 1.329 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.82 -44.69 72.95 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.662 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.23 -43.96 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.443 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.3 tp -59.31 -47.78 84.12 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 110.976 177.007 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.15 98.22 Favored Glycine 0 CA--C 1.536 1.383 0 CA-C-O 118.44 -1.2 . . . . 0.0 113.159 177.575 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -66.15 -43.75 86.12 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.146 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.8 tp -58.97 -46.24 88.57 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.327 0.651 . . . . 0.0 109.279 177.185 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -58.84 -46.06 88.59 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.843 -1.16 . . . . 0.0 110.591 177.591 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -58.58 -55.23 37.79 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.416 1.086 . . . . 0.0 111.06 178.065 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -61.0 -41.15 95.98 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.317 -0.865 . . . . 0.0 111.45 179.179 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 mt -65.7 -36.88 84.89 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.916 -1.115 . . . . 0.0 109.635 178.344 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -67.76 -34.24 76.42 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.368 -1.457 . . . . 0.0 108.96 178.262 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -64.74 -42.84 94.88 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.967 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.62 -41.28 90.07 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.717 178.428 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.2 -40.38 89.89 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.072 1.305 . . . . 0.0 109.304 178.106 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -68.08 -41.29 82.11 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.743 1.217 . . . . 0.0 109.85 177.85 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -61.07 -36.23 79.08 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.233 1.013 . . . . 0.0 109.598 178.702 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.349 0.977 . . . . 0.0 108.944 178.309 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.79 91.21 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 119.67 1.123 . . . . 0.0 108.875 177.033 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.8 m -64.72 -35.14 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.068 0.855 . . . . 0.0 109.322 -179.759 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.49 -45.82 82.13 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.622 -1.299 . . . . 0.0 110.608 177.92 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -58.21 -39.4 78.91 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.524 1.13 . . . . 0.0 112.17 178.51 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.5 -24.75 20.44 Favored Glycine 0 N--CA 1.468 0.819 0 N-CA-C 116.989 1.556 . . . . 0.0 116.989 -178.35 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -136.77 -47.87 0.61 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -177.228 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.69 -25.02 58.06 Favored Glycine 0 N--CA 1.486 1.97 0 C-N-CA 126.664 2.078 . . . . 0.0 117.582 -177.602 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.415 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 90.6 m -106.19 -48.66 0.11 Allowed Pre-proline 0 N--CA 1.503 2.225 0 CA-C-O 116.639 -1.648 . . . . 0.0 109.441 179.702 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 51.4 Cg_exo -61.0 -21.75 72.51 Favored 'Trans proline' 0 CA--C 1.579 2.765 0 C-N-CA 123.857 3.038 . . . . 0.0 114.83 178.362 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.925 0 CA-C-N 117.806 0.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 093 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 093 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -50.94 -67.7 0.23 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -176.709 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -139.48 150.66 45.43 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.206 0.912 . . . . 0.0 111.22 178.047 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.08 -38.91 89.46 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -177.501 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -52.93 -34.39 55.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.605 1.562 . . . . 0.0 113.266 -178.435 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.9 p -102.49 -33.07 9.65 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.197 0.999 . . . . 0.0 113.077 176.803 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.94 -42.29 97.36 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.198 -178.229 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.32 -58.53 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.503 1.047 . . . . 0.0 110.902 178.208 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.11 -42.84 91.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.574 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.41 -48.65 74.26 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.199 0.904 . . . . 0.0 111.356 177.744 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.35 -46.37 86.9 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.06 177.172 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.05 -45.3 75.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.055 0.843 . . . . 0.0 112.143 177.329 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.19 -40.4 93.81 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.3 1.04 . . . . 0.0 111.154 177.328 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -65.43 -45.66 82.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.549 0.74 . . . . 0.0 109.662 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.26 -35.87 82.24 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.443 -0.786 . . . . 0.0 110.181 176.982 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.5 mt -66.23 -40.19 90.09 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.865 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -66.04 -39.86 90.51 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.816 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.15 -40.81 74.41 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.893 0.877 . . . . 0.0 110.353 176.445 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.1 mt -55.76 -39.39 71.15 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.933 0.788 . . . . 0.0 110.009 179.577 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -63.36 -45.56 90.59 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 177.856 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -63.37 -40.37 97.06 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 111.176 177.619 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.1 m-30 -62.85 -47.07 84.99 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.162 0.985 . . . . 0.0 110.245 176.0 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.26 -43.92 92.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.573 1.549 . . . . 0.0 111.063 177.61 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.39 81.53 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.198 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.3 m -61.41 -40.13 93.3 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.033 1.333 . . . . 0.0 111.94 177.533 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -64.03 -49.48 72.22 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.452 1.101 . . . . 0.0 111.857 176.017 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.8 m -63.42 -40.19 96.52 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.501 1.12 . . . . 0.0 111.626 178.865 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.63 -13.06 68.16 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 116.345 1.298 . . . . 0.0 116.345 -178.001 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -156.84 -42.93 0.07 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.878 1.839 . . . . 0.0 115.128 -179.131 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.63 -63.79 4.91 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.718 1.151 . . . . 0.0 115.584 -177.473 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.422 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 61.8 m -67.12 -50.34 41.34 Favored Pre-proline 0 N--CA 1.471 0.6 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.851 177.749 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 54.0 Cg_exo -51.03 -48.3 21.67 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.941 2.427 . . . . 0.0 113.949 178.268 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 120.874 -1.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 094 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 094 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -53.21 -55.04 27.52 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -176.567 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -130.87 141.97 50.34 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.985 0.914 . . . . 0.0 110.835 178.895 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.34 -52.6 45.43 Favored 'General case' 0 C--N 1.342 0.259 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -177.481 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -43.04 -46.52 5.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.448 1.899 . . . . 0.0 114.701 -178.113 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -81.98 -43.59 17.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.784 0.802 . . . . 0.0 112.082 177.931 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -55.19 -57.76 10.44 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -178.056 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -44.62 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 120.184 1.356 . . . . 0.0 114.239 -178.301 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.84 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.933 1.242 . . . . 0.0 110.071 177.321 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.91 98.2 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 177.273 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -62.83 -46.71 86.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.151 -0.928 . . . . 0.0 108.829 177.148 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.08 -44.26 78.8 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.03 0.832 . . . . 0.0 109.922 177.566 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.8 m -58.62 -47.13 85.4 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.963 0.801 . . . . 0.0 110.184 177.371 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -68.15 -36.38 79.57 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 179.618 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -66.94 -40.94 87.68 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.238 1.381 . . . . 0.0 108.389 176.872 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.17 -37.49 87.64 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 120.22 -1.55 . . . . 0.0 108.991 176.327 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -65.38 -39.5 92.33 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 177.475 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -61.92 -39.84 93.43 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 120.965 -1.084 . . . . 0.0 109.824 175.46 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.7 -40.46 88.01 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 119.135 0.88 . . . . 0.0 109.694 175.771 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.41 -40.28 96.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 177.018 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 m -65.01 -37.6 88.16 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.759 1.224 . . . . 0.0 110.84 176.346 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -66.05 -46.73 76.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.779 1.231 . . . . 0.0 108.606 177.353 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.28 -47.61 83.1 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.358 0.981 . . . . 0.0 110.038 178.29 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.41 -54.29 48.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.758 0.823 . . . . 0.0 110.456 177.52 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -57.52 -36.63 71.83 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.349 1.06 . . . . 0.0 112.181 178.002 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -68.15 -46.56 70.44 Favored 'General case' 0 CA--C 1.551 1.016 0 O-C-N 121.425 -0.797 . . . . 0.0 111.357 177.054 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.8 m -61.06 -34.21 74.54 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.894 1.678 . . . . 0.0 112.189 178.858 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.18 -16.34 25.56 Favored Glycine 0 CA--C 1.541 1.669 0 N-CA-C 117.012 1.565 . . . . 0.0 117.012 -178.972 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -152.96 -36.34 0.11 Allowed 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -178.155 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.47 -49.53 64.58 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 117.848 -1.529 . . . . 0.0 115.645 -177.527 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.412 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 22.6 m -60.77 -52.94 68.94 Favored Pre-proline 0 N--CA 1.491 1.621 0 CA-C-N 119.176 1.488 . . . . 0.0 110.633 177.435 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 53.2 Cg_exo -58.27 -38.32 91.39 Favored 'Trans proline' 0 CA--C 1.55 1.293 0 C-N-CA 122.199 1.933 . . . . 0.0 112.197 -179.968 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 119.115 0.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 095 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 095 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.25 -47.52 9.37 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -178.327 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -140.66 165.44 27.48 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 126.241 1.816 . . . . 0.0 109.906 177.119 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.3 mt -81.98 -52.63 6.86 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.192 -0.943 . . . . 0.0 112.965 178.806 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -39.34 -64.42 0.47 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.001 2.12 . . . . 0.0 115.497 -177.203 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.4 p -74.62 -25.57 59.32 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.209 -0.932 . . . . 0.0 111.691 -179.198 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.86 -43.25 84.07 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.613 -1.305 . . . . 0.0 109.717 178.18 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -67.06 -53.82 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.436 1.495 . . . . 0.0 109.097 177.286 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.5 tp -56.39 -46.79 79.94 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.664 0.786 . . . . 0.0 111.846 178.748 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.69 -49.62 75.56 Favored Glycine 0 CA--C 1.544 1.876 0 C-N-CA 124.577 1.084 . . . . 0.0 110.402 179.27 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.19 -42.35 99.33 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.086 177.163 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.07 -48.97 72.79 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.762 1.619 . . . . 0.0 109.84 177.29 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -64.75 -46.84 80.5 Favored 'General case' 0 C--O 1.245 0.86 0 O-C-N 121.422 -0.799 . . . . 0.0 109.742 179.536 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -62.35 -45.49 92.94 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 119.831 -1.793 . . . . 0.0 111.645 -179.595 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.98 -34.3 77.78 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 -179.465 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 mt -66.7 -38.7 87.27 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 119.679 -1.888 . . . . 0.0 108.833 176.761 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.49 -41.54 96.4 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.126 177.013 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.51 -40.76 97.89 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 120.798 -1.189 . . . . 0.0 108.946 177.471 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -57.21 -45.51 83.75 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.818 0.847 . . . . 0.0 108.748 177.059 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -62.35 -37.38 85.43 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.694 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -66.1 -41.41 90.66 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.346 1.058 . . . . 0.0 111.377 177.633 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.57 -41.55 92.8 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.392 1.451 . . . . 0.0 108.584 176.616 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.45 -39.96 92.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.011 0.924 . . . . 0.0 110.083 177.164 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.35 82.13 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 177.974 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.4 m -59.51 -40.67 87.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.883 1.673 . . . . 0.0 109.326 177.159 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -68.54 -43.27 77.05 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.892 -1.13 . . . . 0.0 110.353 177.918 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.1 m -65.26 -34.81 79.23 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.31 1.444 . . . . 0.0 114.383 177.5 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.62 -14.52 37.37 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 116.92 1.528 . . . . 0.0 116.92 179.425 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 m -144.27 -49.76 0.28 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.14 1.47 . . . . 0.0 114.222 -177.877 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.19 -60.67 8.52 Favored Glycine 0 CA--C 1.551 2.315 0 C-N-CA 124.848 1.213 . . . . 0.0 115.351 -175.944 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -70.73 -47.48 16.58 Favored Pre-proline 0 N--CA 1.492 1.627 0 CA-C-O 116.89 -1.528 . . . . 0.0 111.314 177.776 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -57.35 -32.17 93.1 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 C-N-CA 123.261 2.641 . . . . 0.0 113.921 178.828 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 120.702 1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 096 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 096 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.33 -73.38 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 118.317 2.71 . . . . 0.0 118.317 -178.177 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -131.93 149.32 52.47 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.627 1.171 . . . . 0.0 112.373 -177.537 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.22 -49.7 76.09 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.154 0.981 . . . . 0.0 113.581 -178.937 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -50.38 -49.02 55.54 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.792 1.237 . . . . 0.0 112.248 -175.149 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.5 p -82.46 -36.64 26.35 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 177.223 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.51 -49.09 70.25 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.83 -1.169 . . . . 0.0 112.47 -178.409 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.05 -49.16 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 120.855 -1.153 . . . . 0.0 110.353 177.537 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tp -54.92 -52.6 62.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.486 1.114 . . . . 0.0 111.222 177.381 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.86 -48.55 84.88 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.68 1.609 . . . . 0.0 112.093 178.068 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.71 -47.06 86.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.495 1.147 . . . . 0.0 110.913 177.305 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.65 -50.16 70.97 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.615 1.098 . . . . 0.0 109.512 177.272 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -61.1 -42.39 98.43 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 120.821 -1.175 . . . . 0.0 110.507 178.288 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -63.72 -45.7 88.76 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 120.687 -1.258 . . . . 0.0 110.8 177.121 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -61.38 -37.07 82.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 121.601 2.001 . . . . 0.0 107.925 177.981 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.43 -35.25 78.87 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.161 -0.962 . . . . 0.0 108.407 178.591 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -68.09 -37.49 81.26 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.874 0.87 . . . . 0.0 109.112 177.355 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -63.48 -46.37 86.49 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.322 -1.486 . . . . 0.0 107.201 176.234 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.81 -43.85 85.99 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.968 1.307 . . . . 0.0 109.705 176.966 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.74 -39.04 92.86 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.137 0.975 . . . . 0.0 109.268 177.13 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.0 m -65.61 -42.61 91.4 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.148 1.379 . . . . 0.0 109.615 177.205 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -64.96 -41.83 95.13 Favored 'General case' 0 CA--C 1.551 0.991 0 O-C-N 120.988 -1.07 . . . . 0.0 108.986 178.11 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.4 mt -62.97 -42.3 99.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.588 1.155 . . . . 0.0 110.446 178.091 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.33 -49.35 74.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.064 0.946 . . . . 0.0 108.935 177.586 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.5 m -57.46 -43.14 83.75 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.101 1.36 . . . . 0.0 110.723 177.141 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -66.21 -39.89 89.94 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.316 -0.865 . . . . 0.0 111.787 177.21 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.1 m -70.69 -33.99 71.49 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.31 1.044 . . . . 0.0 113.122 178.124 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.48 -23.45 31.3 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 115.679 1.031 . . . . 0.0 115.679 179.493 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 m -147.84 -39.87 0.18 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.276 1.538 . . . . 0.0 115.063 -177.483 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.13 -60.34 9.1 Favored Glycine 0 CA--C 1.543 1.793 0 CA-C-N 120.162 1.346 . . . . 0.0 115.485 -178.428 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.401 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 37.6 m -74.0 -47.01 6.58 Favored Pre-proline 0 N--CA 1.469 0.523 0 CA-C-O 117.312 -1.328 . . . . 0.0 112.104 177.973 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 27.7 Cg_exo -65.41 -8.08 17.87 Favored 'Trans proline' 0 CA--C 1.561 1.87 0 C-N-CA 123.843 3.029 . . . . 0.0 115.989 177.881 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.988 0 O-C-N 118.263 -2.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 097 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 097 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -40.74 -58.57 1.61 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.114 2.566 . . . . 0.0 116.172 -175.873 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -126.88 155.2 43.36 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.095 0.958 . . . . 0.0 111.363 176.297 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -71.99 -62.4 1.44 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 117.942 -1.027 . . . . 0.0 112.782 -179.518 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -35.45 -61.54 0.44 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.047 1.739 . . . . 0.0 115.682 -177.055 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.6 p -64.71 -45.91 84.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.947 -0.471 . . . . 0.0 111.664 179.989 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.0 t -58.83 -38.05 77.81 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.959 1.304 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.66 -52.92 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.608 1.563 . . . . 0.0 110.123 177.233 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.63 -45.16 89.85 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.167 0.587 . . . . 0.0 111.716 178.041 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.59 -52.66 51.76 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.347 1.451 . . . . 0.0 111.916 175.786 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -60.01 -45.57 92.33 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.585 1.192 . . . . 0.0 111.028 177.176 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.29 -47.7 80.79 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.578 1.081 . . . . 0.0 110.437 177.981 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -62.72 -44.58 95.86 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 118.059 -0.972 . . . . 0.0 111.877 176.813 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.86 -45.71 81.14 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.734 1.152 . . . . 0.0 111.429 -179.629 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -61.62 -40.17 93.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.944 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.29 -34.79 78.79 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.706 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -62.94 -35.42 80.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.995 1.718 . . . . 0.0 110.124 178.187 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.07 -43.0 96.77 Favored 'General case' 0 C--N 1.362 1.125 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 177.496 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.03 -46.66 83.43 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 119.278 0.944 . . . . 0.0 109.933 176.887 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -57.0 -34.61 68.32 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.595 1.558 . . . . 0.0 111.503 177.47 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.8 m -66.96 -49.34 65.76 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.151 0.981 . . . . 0.0 108.715 178.034 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -63.36 -37.58 87.82 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.652 -0.655 . . . . 0.0 111.442 177.118 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.25 -51.64 62.62 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.73 1.212 . . . . 0.0 110.272 176.986 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.86 74.85 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.128 0.876 . . . . 0.0 110.204 177.626 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.7 m -62.14 -38.83 90.45 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.528 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.63 -40.92 80.12 Favored 'General case' 0 CA--C 1.553 1.062 0 O-C-N 121.042 -1.036 . . . . 0.0 109.551 177.899 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -61.09 -50.88 71.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.497 1.519 . . . . 0.0 111.272 178.695 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.04 -15.79 71.48 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 -177.098 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 m -139.34 -53.72 0.56 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.363 -1.669 . . . . 0.0 112.463 -176.637 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.84 -56.08 6.89 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.221 1.391 . . . . 0.0 116.221 -177.494 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -53.72 1.01 Allowed Pre-proline 0 N--CA 1.484 1.228 0 CA-C-N 118.998 1.399 . . . . 0.0 113.193 -178.73 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -56.96 -31.59 90.19 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 123.355 2.703 . . . . 0.0 115.353 179.177 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.113 0 O-C-N 120.812 -1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 098 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.498 1.926 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 098 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -36.83 -63.63 0.4 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.639 2.775 . . . . 0.0 116.896 -177.042 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -129.78 145.25 51.57 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 125.177 1.391 . . . . 0.0 108.737 178.691 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.1 tp -68.44 -45.98 71.06 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.942 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -47.32 -63.17 1.12 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.342 1.457 . . . . 0.0 114.165 -179.935 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -63.43 -41.75 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.363 0.529 . . . . 0.0 111.55 -178.89 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -61.16 -46.66 89.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.876 1.271 . . . . 0.0 112.489 -178.299 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.4 t -67.06 -51.08 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 117.951 -1.024 . . . . 0.0 111.132 177.466 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.66 -50.79 71.03 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 111.977 178.415 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.3 -48.01 65.97 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.91 0.767 . . . . 0.0 112.416 177.587 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.13 -44.5 95.41 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 117.76 0.78 . . . . 0.0 111.29 177.088 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.85 -50.8 71.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.42 0.688 . . . . 0.0 110.807 177.482 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.0 m -62.5 -34.91 77.82 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.517 177.318 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.89 -49.22 68.83 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.421 1.009 . . . . 0.0 110.918 177.496 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -62.5 -38.3 89.37 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.891 -1.131 . . . . 0.0 110.423 176.505 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.24 -39.52 86.99 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.979 -1.076 . . . . 0.0 110.4 175.897 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.29 -37.47 87.62 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.91 1.284 . . . . 0.0 109.508 178.814 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -63.99 -45.63 88.16 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 176.618 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.32 -37.86 73.18 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.625 0.77 . . . . 0.0 109.667 177.438 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -63.82 -39.18 93.62 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.754 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.8 m -65.04 -42.53 94.22 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.626 0.771 . . . . 0.0 110.233 177.169 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -64.02 -41.65 97.37 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 121.043 -1.036 . . . . 0.0 111.756 176.74 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.47 -50.4 69.86 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 177.419 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.11 72.65 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.311 1.044 . . . . 0.0 111.36 176.788 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.3 m -60.45 -40.77 92.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.035 1.334 . . . . 0.0 109.998 176.144 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -68.95 -53.81 18.8 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.362 0.665 . . . . 0.0 111.607 176.592 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -61.21 -44.63 96.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.712 -1.242 . . . . 0.0 113.063 -178.413 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.51 -10.92 67.1 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.397 1.475 . . . . 0.0 116.629 -177.451 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 m -144.16 -40.97 0.27 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.78 1.79 . . . . 0.0 114.013 178.355 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.69 -42.01 97.7 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 123.506 0.574 . . . . 0.0 114.415 178.93 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -79.09 -53.31 1.12 Allowed Pre-proline 0 N--CA 1.481 1.094 0 CA-C-O 116.869 -1.538 . . . . 0.0 112.513 177.558 . . . . . . . . 3 3 . 1 . 098 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.463 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 36.3 Cg_exo -59.73 -37.3 88.04 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.534 2.156 . . . . 0.0 114.371 179.88 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 120.97 -1.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 099 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.221 -0.406 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 099 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -52.59 -20.28 2.9 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 119.264 3.061 . . . . 0.0 119.264 -176.673 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -145.54 151.25 37.84 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.612 1.565 . . . . 0.0 111.061 176.62 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tp -81.77 -45.05 16.17 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 178.956 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -41.48 -70.53 0.1 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 129.703 3.201 . . . . 0.0 115.449 -176.543 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.7 p -75.74 -21.97 56.97 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 177.752 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -68.97 -44.88 72.01 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.66 0.784 . . . . 0.0 110.771 178.02 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.26 -50.72 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 117.523 -1.227 . . . . 0.0 110.042 177.496 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.52 -47.64 78.93 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.003 0.82 . . . . 0.0 111.228 177.439 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.08 -51.52 49.67 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 124.151 0.882 . . . . 0.0 111.364 177.131 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.02 -45.1 95.06 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 118.777 -0.63 . . . . 0.0 111.846 177.208 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.98 -54.87 37.38 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.191 0.996 . . . . 0.0 111.396 177.929 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.0 m -63.86 -39.47 94.27 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 177.564 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -67.67 -48.23 67.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.137 0.88 . . . . 0.0 112.917 178.635 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.79 -42.07 99.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.402 1.001 . . . . 0.0 110.683 177.049 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -62.13 -44.49 96.52 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.77 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.41 -40.52 96.78 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.706 -1.247 . . . . 0.0 110.18 179.975 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -59.18 -48.32 82.06 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.888 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.26 -44.19 92.42 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.88 177.154 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -58.59 -42.32 87.8 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.169 0.988 . . . . 0.0 110.273 176.432 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -67.84 -37.72 82.26 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.862 0.865 . . . . 0.0 109.103 -176.994 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -67.74 -43.74 79.2 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.812 -1.18 . . . . 0.0 107.922 177.727 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.02 -42.4 94.26 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.276 1.43 . . . . 0.0 111.311 177.575 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -43.56 78.67 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.622 1.101 . . . . 0.0 110.612 177.733 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 m -66.97 -39.24 87.16 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.907 0.883 . . . . 0.0 110.25 177.404 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.35 -49.19 76.56 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.153 0.981 . . . . 0.0 110.722 177.587 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -69.36 -38.97 78.32 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.711 -0.618 . . . . 0.0 111.121 -179.227 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.9 -27.4 50.36 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 116.521 1.369 . . . . 0.0 116.521 -177.427 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.9 m -135.72 -39.01 0.72 Allowed 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.189 1.495 . . . . 0.0 113.904 -178.401 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.88 -41.57 98.7 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 117.054 1.581 . . . . 0.0 117.054 -177.793 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.441 ' HB ' ' HD3' ' A' ' 32' ' ' PRO . 16.8 m -76.15 -46.04 3.67 Favored Pre-proline 0 N--CA 1.486 1.369 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.405 177.223 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' ' 31' ' ' THR . 47.7 Cg_exo -62.7 -31.6 78.87 Favored 'Trans proline' 0 CA--C 1.561 1.866 0 C-N-CA 123.382 2.721 . . . . 0.0 114.919 175.417 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.09 0 CA-C-N 120.827 1.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 100 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 100 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -49.62 -67.92 0.22 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 117.385 2.365 . . . . 0.0 117.385 -178.254 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -100.05 154.52 18.34 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 120.329 -1.482 . . . . 0.0 110.37 178.406 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.05 -58.03 3.03 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.73 0.812 . . . . 0.0 112.305 -179.561 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -41.16 -68.25 0.2 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 127.137 2.175 . . . . 0.0 116.114 -177.461 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.253 24.9 p -73.52 -19.24 60.96 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.157 1.344 . . . . 0.0 113.328 -179.539 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -70.76 -43.08 69.55 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.323 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.06 -51.95 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.314 1.445 . . . . 0.0 108.591 177.079 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.5 mt -56.22 -45.61 79.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.486 1.039 . . . . 0.0 112.793 177.704 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.3 -47.69 88.1 Favored Glycine 0 N--CA 1.472 1.054 0 CA-C-N 119.347 0.976 . . . . 0.0 112.382 177.443 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.66 -44.21 87.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.04 -0.682 . . . . 0.0 110.131 177.518 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.5 -44.28 84.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.27 1.428 . . . . 0.0 109.459 177.027 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.7 m -60.98 -39.67 90.5 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 117.439 -1.267 . . . . 0.0 109.352 179.805 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.06 -48.48 73.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.077 1.308 . . . . 0.0 109.718 176.899 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -65.31 -37.28 86.65 Favored 'General case' 0 CA--C 1.558 1.263 0 O-C-N 120.556 -1.34 . . . . 0.0 109.874 -179.364 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 tp -67.04 -42.11 85.39 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 124.604 1.162 . . . . 0.0 108.366 177.534 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -63.52 -36.83 85.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.977 1.311 . . . . 0.0 109.438 177.444 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -65.19 -50.33 66.34 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 177.146 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.0 mt -56.67 -46.17 81.27 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.817 1.247 . . . . 0.0 111.045 177.026 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -62.53 -44.14 97.08 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.083 -0.96 . . . . 0.0 109.484 177.276 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.2 m -66.09 -38.01 87.18 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.717 1.207 . . . . 0.0 110.425 178.408 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -63.82 -47.38 81.05 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.517 1.053 . . . . 0.0 108.182 178.421 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 mt -58.26 -54.52 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.188 1.395 . . . . 0.0 110.302 175.968 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.75 -46.68 70.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.606 1.162 . . . . 0.0 111.571 178.53 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -64.35 -37.11 86.36 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 120.337 -1.477 . . . . 0.0 111.129 177.671 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -64.07 -45.75 87.39 Favored 'General case' 0 C--O 1.242 0.671 0 O-C-N 120.377 -1.452 . . . . 0.0 110.931 176.26 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -66.47 -44.47 82.65 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.122 -1.611 . . . . 0.0 114.422 176.916 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.74 -25.41 38.52 Favored Glycine 0 CA--C 1.542 1.726 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 -177.67 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -125.72 -47.6 1.68 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.345 1.073 . . . . 0.0 112.147 -179.274 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.59 -43.97 85.97 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 117.162 1.625 . . . . 0.0 117.162 -176.827 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -83.69 -52.25 0.6 Allowed Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 118.284 1.042 . . . . 0.0 112.731 177.915 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.81 -31.58 92.71 Favored 'Trans proline' 0 CA--C 1.557 1.655 0 C-N-CA 122.448 2.099 . . . . 0.0 115.18 178.692 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.733 0 CA-C-N 119.926 1.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_