data_2k5e_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 2k5e _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 ' 5' ' ' PHE . . . . . 0.519 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 97.7 m-85 . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 121.104 0.478 . . . . 63.21 110.491 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.578 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.3 t -121.58 162.17 21.09 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.121 0.486 . . . . 75.32 111.831 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.706 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.5 ptpt -68.56 -20.86 64.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.335 -0.393 . . . . 74.01 111.408 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.68 -31.85 52.73 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.841 -0.618 . . . . 72.21 112.199 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -75.52 159.04 31.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.934 0.397 . . . . 74.21 111.583 -176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 62.0 p -86.09 159.55 19.52 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.373 0.509 . . . . 60.51 112.373 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.17 -43.08 87.29 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.291 -0.413 . . . . 75.24 111.534 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.37 -41.21 79.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.917 0.389 . . . . 70.34 111.735 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.93 -42.84 76.24 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.681 -0.236 . . . . 73.0 111.264 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.02 78.68 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.962 0.411 . . . . 72.04 111.592 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 25' ' ' LEU . 97.0 mt -56.75 -41.43 77.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.234 -0.439 . . . . 72.23 111.875 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -79.46 -8.28 59.01 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.122 0.416 . . . . 74.42 112.122 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.631 HG21 ' HD1' ' A' ' 18' ' ' HIS . 96.3 m -86.46 -41.25 14.56 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.024 0.44 . . . . 72.44 110.974 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.631 ' HD1' HG21 ' A' ' 17' ' ' THR . 57.3 m80 -149.03 115.81 3.74 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 122.518 0.327 . . . . 73.21 110.784 174.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.25 -32.21 59.55 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.485 2.123 . . . . 73.34 113.089 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.31 -21.34 56.75 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 121.382 -0.437 . . . . 71.35 113.558 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.8 t -58.69 -36.08 58.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.683 0.278 . . . . 72.31 111.272 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -56.87 -46.23 81.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.746 0.307 . . . . 74.52 111.269 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.24 -45.36 96.66 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 121.106 -0.568 . . . . 72.2 112.764 177.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.81 -51.17 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.857 0.36 . . . . 65.42 111.098 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 15' ' ' LEU . 85.6 mt -58.03 -49.93 75.18 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 111.745 0.276 . . . . 73.14 111.745 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 73.3 mtp180 -60.54 -37.62 81.83 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.804 0.335 . . . . 75.23 111.294 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 t -65.24 -31.1 72.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.154 0.502 . . . . 70.3 110.971 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.31 20.85 6.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.229 -0.441 . . . . 74.51 112.134 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 68.55 5.0 4.58 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.28 0.562 . . . . 64.12 111.931 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' O ' HG21 ' A' ' 33' ' ' ILE . 96.9 mt -90.56 14.59 12.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.897 -0.502 . . . . 70.13 111.802 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.21 -27.67 73.5 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.872 -0.68 . . . . 73.35 112.834 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.2 m -65.18 -5.96 8.12 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.826 0.676 . . . . 72.02 112.826 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 HG21 ' O ' ' A' ' 30' ' ' LEU . 27.8 pt -54.18 -30.98 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 112.632 0.604 . . . . 44.31 112.632 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.98 -37.86 64.4 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.816 -0.707 . . . . 72.44 112.779 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.86 -52.57 9.24 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.817 0.341 . . . . 52.44 111.705 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -69.22 -2.48 10.61 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.345 0.498 . . . . 70.22 112.345 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.34 27.81 69.11 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.184 -0.531 . . . . 43.15 113.567 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.2 9.51 6.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.478 -0.425 . . . . 60.21 111.989 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.82 -41.96 83.29 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.167 0.508 . . . . 63.04 111.071 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -87.65 13.11 11.03 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.999 -0.546 . . . . 74.51 111.572 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -108.87 146.34 33.87 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.541 -0.299 . . . . 62.01 111.336 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 61.4 m -70.16 150.22 46.73 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.867 0.365 . . . . 72.35 111.958 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 6' ' ' THR . 85.3 mt -53.28 -44.77 68.51 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.53 0.567 . . . . 74.01 112.53 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.706 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -64.81 -35.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 111.86 0.319 . . . . 73.53 111.86 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.19 -49.73 70.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.862 0.363 . . . . 75.43 111.191 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.55 -34.81 90.13 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.002 -0.618 . . . . 71.41 112.903 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -59.28 5.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.725 0.298 . . . . 75.31 111.601 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -60.05 -34.43 73.4 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.705 0.288 . . . . 72.44 111.529 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.88 70.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.992 0.425 . . . . 75.3 111.657 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -100.87 11.18 40.09 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.957 0.408 . . . . 62.0 111.381 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 36.99 85.98 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.244 0.458 . . . . 61.15 114.244 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -120.48 161.48 21.18 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.994 0.426 . . . . 73.02 111.311 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -98.5 123.75 42.83 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.955 0.407 . . . . 60.51 110.078 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 p -61.08 -25.83 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 116.32 -0.4 . . . . 72.23 111.927 -176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -56.11 -51.84 66.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.905 0.383 . . . . 73.43 111.729 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.18 -35.17 79.41 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.126 0.489 . . . . 72.35 111.124 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.18 -52.44 52.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.087 -0.506 . . . . 75.1 110.893 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.7 mt -57.54 -36.66 71.9 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.243 -0.435 . . . . 73.43 111.095 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -52.03 -56.73 12.51 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.075 -0.511 . . . . 74.21 111.53 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -36.42 66.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.653 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.92 -48.16 80.14 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.999 0.428 . . . . 74.01 111.652 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.84 -29.45 70.18 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.012 0.434 . . . . 53.15 111.335 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.57 70.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.354 -0.385 . . . . 72.4 111.153 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.59 -25.63 65.87 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.371 -0.377 . . . . 74.32 111.052 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 CA-C-O 120.974 0.416 . . . . 64.02 111.421 178.198 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.652 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 92.0 m-85 . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 121.087 0.47 . . . . 64.34 110.253 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.0 t -123.32 156.04 36.08 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.305 0.574 . . . . 75.21 111.987 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.792 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -54.4 -26.09 28.46 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.516 0.561 . . . . 72.3 112.516 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.21 -15.08 57.8 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.607 0.595 . . . . 73.1 112.607 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.652 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 23.2 ptm -88.66 158.4 18.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.973 -0.454 . . . . 71.24 110.949 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.468 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 38.4 p -85.38 158.37 20.26 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.0 0.429 . . . . 71.14 112.068 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -55.23 -44.4 75.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.595 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -54.98 -48.91 72.65 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.2 -0.455 . . . . 63.45 111.675 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.468 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.6 mt-30 -56.4 -48.36 77.07 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.832 0.348 . . . . 74.14 111.46 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -58.23 -44.25 88.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.366 -0.379 . . . . 53.4 111.306 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.02 -28.19 69.93 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.157 -0.474 . . . . 74.04 112.151 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 21.6 mm-40 -82.75 -31.39 28.4 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.956 0.408 . . . . 73.42 111.107 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.1 m -67.28 -58.14 5.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.462 -0.335 . . . . 73.22 111.504 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 6.6 m-70 -138.3 131.68 16.48 Favored Pre-proline 0 N--CA 1.471 0.589 0 O-C-N 122.331 -0.23 . . . . 72.21 111.427 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 37.4 Cg_exo -60.97 -33.13 92.8 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.864 2.376 . . . . 72.33 112.959 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.64 53.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.237 -0.438 . . . . 54.3 113.438 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.445 HG13 ' HB2' ' A' ' 14' ' ' ALA . 84.6 t -56.07 -37.67 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.566 0.222 . . . . 74.42 111.419 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.24 76.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.996 0.426 . . . . 62.13 111.4 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -44.12 91.06 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.218 -0.515 . . . . 61.32 112.735 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.431 HG23 HD11 ' A' ' 64' ' ' LEU . 83.9 t -59.73 -49.19 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.916 0.388 . . . . 65.23 111.417 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.1 mt -55.25 -52.41 63.5 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.291 -0.413 . . . . 73.35 110.899 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -56.73 -39.57 74.16 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.837 0.351 . . . . 64.53 111.284 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.9 t -61.62 -36.58 81.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.199 -0.455 . . . . 72.31 112.012 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -88.24 5.15 43.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.083 0.401 . . . . 74.42 112.083 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 69.74 53.54 0.39 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.827 0.822 . . . . 74.44 110.625 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' HG21 ' A' ' 33' ' ' ILE . 99.6 mt -126.39 15.32 7.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.472 -0.785 . . . . 70.45 110.9 175.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -20.29 71.72 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.985 -0.626 . . . . 71.13 112.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.716 ' SG ' ' HB2' ' A' ' 35' ' ' CYS . 42.4 t -81.49 8.21 10.06 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.011 0.374 . . . . 74.11 112.011 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.511 HG21 ' O ' ' A' ' 30' ' ' LEU . 10.3 pt -54.46 -31.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 112.575 0.583 . . . . 54.53 112.575 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -39.7 69.25 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.751 -0.738 . . . . 74.24 112.398 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.716 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 67.2 m -68.91 -39.97 79.39 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.781 0.325 . . . . 70.5 111.721 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.6 ptm -86.41 3.79 42.23 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 111.913 0.338 . . . . 73.54 111.913 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.55 29.95 75.1 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 121.388 -0.434 . . . . 37.38 114.082 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.35 11.25 3.73 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.855 0.687 . . . . 44.53 112.855 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -65.65 -30.49 71.2 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.273 0.558 . . . . 74.1 110.834 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -98.42 20.8 12.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.963 -0.562 . . . . 65.2 111.081 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -123.72 151.05 43.61 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.562 -0.29 . . . . 72.34 111.047 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 82.5 p -76.6 155.23 33.7 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.085 0.469 . . . . 63.3 111.909 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.78 -42.32 64.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.757 -0.656 . . . . 52.3 112.113 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.792 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.9 tt0 -64.68 -48.07 76.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 111.929 0.344 . . . . 73.42 111.929 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.63 -46.47 88.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.744 0.307 . . . . 65.52 111.485 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -45.41 95.97 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.118 -0.563 . . . . 74.3 112.894 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.15 66.88 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.003 0.43 . . . . 64.44 111.159 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' ND2' ' HG2' ' A' ' 44' ' ' GLU . 92.2 m-20 -55.78 -33.04 64.0 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.013 -0.54 . . . . 65.44 112.03 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -36.16 77.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.1 0.476 . . . . 75.42 111.391 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -90.83 5.52 48.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.305 -0.407 . . . . 72.55 111.458 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.15 35.21 90.16 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.621 -0.323 . . . . 74.43 113.697 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -102.63 160.88 14.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.997 0.427 . . . . 75.2 111.992 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -84.25 104.61 14.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.182 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.1 p -58.4 -34.51 50.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 111.886 0.328 . . . . 54.51 111.886 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -60.63 -46.54 89.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.163 0.506 . . . . 61.45 110.855 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 t70 -68.62 -33.09 73.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.143 -0.48 . . . . 71.23 111.147 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 53' ' ' ASN . 59.2 mt -64.23 -53.15 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.902 0.382 . . . . 64.25 111.127 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 7' ' ' LYS . 79.2 mt -55.13 -36.95 66.31 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.114 0.483 . . . . 61.41 110.938 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 1.5 ttp180 -51.44 -56.02 15.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.605 -0.725 . . . . 74.24 111.421 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -72.1 -32.82 67.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.837 0.351 . . . . 70.33 111.47 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.39 -49.48 76.73 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.874 0.368 . . . . 70.44 111.75 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -71.91 -26.7 62.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.973 0.416 . . . . 73.23 111.166 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.37 -23.92 66.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.792 0.33 . . . . 73.22 111.28 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.431 HD11 HG23 ' A' ' 24' ' ' VAL . 96.2 mt -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.802 0.334 . . . . 74.24 111.482 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 120.89 0.376 . . . . 64.33 111.52 178.061 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.527 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 64.8 m-85 . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.335 -0.617 . . . . 74.31 109.335 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.609 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.8 t -95.3 162.17 13.79 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.352 0.596 . . . . 72.52 112.088 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.848 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.2 ptpt -69.59 -18.19 63.61 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.029 -0.532 . . . . 64.32 111.349 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.17 -37.67 66.47 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.892 -0.594 . . . . 74.33 112.078 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.1 ptm -70.89 149.47 46.72 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.072 0.463 . . . . 75.34 111.489 -176.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 30.8 p -80.61 165.42 22.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.19 -0.459 . . . . 74.34 112.047 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -56.48 -42.78 78.84 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 61.31 111.043 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.19 88.05 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.323 -0.399 . . . . 71.12 111.46 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.523 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 26.2 mt-30 -58.67 -47.15 85.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.005 0.431 . . . . 71.24 110.872 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.03 74.94 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.35 -0.386 . . . . 71.51 111.654 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.45 -38.16 71.26 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.368 -0.378 . . . . 73.41 111.942 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -75.74 -28.6 58.58 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.86 0.319 . . . . 54.51 111.86 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.624 HG21 ' HD1' ' A' ' 18' ' ' HIS . 90.1 m -67.93 -43.07 79.99 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 111.744 0.276 . . . . 75.35 111.744 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.624 ' HD1' HG21 ' A' ' 17' ' ' THR . 12.1 m80 -149.21 143.1 16.59 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-O 120.788 0.328 . . . . 64.12 111.803 178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.14 -22.63 22.28 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.751 2.301 . . . . 64.44 113.543 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.61 -15.34 80.61 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.235 -0.507 . . . . 52.21 113.625 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.14 -38.34 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.988 0.366 . . . . 74.44 111.988 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.83 -47.33 64.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.911 0.386 . . . . 44.43 111.76 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.11 -42.17 99.58 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 121.148 -0.548 . . . . 63.03 112.819 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -62.05 -50.93 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 120.886 0.374 . . . . 75.52 111.476 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.0 mt -56.6 -47.01 80.52 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.878 0.37 . . . . 73.13 111.343 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -61.86 -43.28 99.17 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.855 0.36 . . . . 71.12 111.279 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 t -58.8 -33.65 70.59 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.14 0.495 . . . . 73.13 111.642 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' C ' ' H ' ' A' ' 30' ' ' LEU . 31.9 m-85 -96.85 25.29 5.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.156 -0.475 . . . . 64.14 112.024 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 70.47 -17.68 0.27 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.752 0.649 . . . . 65.03 112.752 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' O ' HG21 ' A' ' 33' ' ' ILE . 83.2 mt -62.7 -10.32 12.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.416 0.524 . . . . 74.41 112.416 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.06 -22.21 12.52 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.439 -0.41 . . . . 63.53 113.817 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 36' ' ' MET . 71.0 m -73.01 3.17 5.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.547 0.573 . . . . 64.05 112.547 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG21 ' O ' ' A' ' 30' ' ' LEU . 16.0 pt -54.96 -30.32 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.125 0.417 . . . . 74.3 112.125 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.13 -41.5 96.99 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.056 -0.592 . . . . 38.46 112.527 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.6 t -71.57 -55.13 8.39 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.95 0.352 . . . . 72.3 111.95 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.5 ptm -72.08 -12.06 61.04 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.938 0.718 . . . . 54.32 112.938 -174.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.32 48.54 14.18 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.112 -0.566 . . . . 42.21 112.819 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' HG22 ' A' ' 33' ' ' ILE . . . -111.11 64.69 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.429 0.633 . . . . 44.03 110.825 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -99.81 -40.23 7.82 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.345 0.593 . . . . 74.13 110.448 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -90.04 1.68 56.05 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.539 -0.755 . . . . 74.3 111.601 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -91.07 143.57 26.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.792 0.329 . . . . 70.14 111.414 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 35.6 m -71.91 151.21 43.5 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.876 0.369 . . . . 72.13 111.776 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 6' ' ' THR . 99.4 mt -53.27 -46.14 69.15 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.735 0.642 . . . . 74.24 112.735 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.848 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 45.5 tt0 -61.87 -46.71 88.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.12 0.486 . . . . 54.32 111.288 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -57.28 -42.03 80.86 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.91 -0.586 . . . . 53.05 111.226 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.79 88.92 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.067 -0.587 . . . . 53.32 112.931 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.89 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.767 0.317 . . . . 73.22 111.142 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -51.87 -46.28 64.41 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.92 0.391 . . . . 72.3 111.355 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.52 70.87 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.375 0.509 . . . . 74.24 112.375 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -99.24 2.65 45.83 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.003 0.372 . . . . 72.3 112.003 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.35 35.82 92.43 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.333 -0.461 . . . . 72.23 113.271 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.3 mt -105.5 157.77 17.14 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.049 0.452 . . . . 75.21 111.717 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.54 104.47 14.57 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.317 -0.401 . . . . 73.51 110.755 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 8.1 p -54.48 -38.23 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 112.589 0.589 . . . . 72.14 112.589 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.09 -41.38 96.55 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.856 0.36 . . . . 73.11 111.655 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.2 t70 -67.64 -34.69 77.47 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.054 0.455 . . . . 64.42 110.779 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.518 HD13 HD11 ' A' ' 30' ' ' LEU . 57.6 mt -65.92 -52.94 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.785 -0.643 . . . . 74.4 110.947 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 7' ' ' LYS . 80.2 mt -56.97 -34.13 67.77 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.138 -0.483 . . . . 72.33 111.26 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.8 ttp180 -51.83 -55.63 18.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.006 -0.543 . . . . 71.3 111.69 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.15 -34.28 68.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.006 0.431 . . . . 63.41 110.889 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.8 -49.02 78.02 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 74.22 111.889 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.55 -25.74 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.222 -0.298 . . . . 73.12 111.304 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -29.39 67.47 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.783 0.325 . . . . 71.43 110.955 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.09 -32.79 74.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.039 0.447 . . . . 70.41 111.351 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.264 0.554 . . . . 38.46 111.294 179.019 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.605 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 120.883 0.373 . . . . 74.54 110.713 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.615 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.3 t -116.44 165.25 13.43 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.245 -0.434 . . . . 65.1 111.635 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -69.92 -17.75 63.34 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.85 0.357 . . . . 73.15 111.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.32 -26.48 42.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.637 0.606 . . . . 63.05 112.637 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' A' ' 6' ' ' THR . 24.9 ptm -78.25 150.53 33.39 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.961 -0.462 . . . . 53.14 111.148 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.48 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.2 p -82.74 158.6 22.8 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.145 0.424 . . . . 71.22 112.145 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -53.6 -42.7 67.95 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.012 -0.54 . . . . 75.22 111.456 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.21 76.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.323 -0.399 . . . . 63.24 111.326 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.48 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.3 mt-30 -58.47 -47.56 83.65 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.435 -0.348 . . . . 75.31 111.059 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.52 -51.09 66.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.265 -0.425 . . . . 74.34 111.601 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.49 -39.65 84.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.51 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.15 0.41 40.99 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.242 0.46 . . . . 75.34 112.242 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.499 HG21 ' HD1' ' A' ' 18' ' ' HIS . 86.7 m -101.13 -40.83 7.0 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.068 0.461 . . . . 64.14 110.977 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.499 ' HD1' HG21 ' A' ' 17' ' ' THR . 66.0 m80 -149.3 112.71 3.51 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 122.612 0.365 . . . . 70.2 110.946 176.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.97 -34.51 22.93 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.964 2.443 . . . . 70.44 113.75 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.2 -25.43 47.46 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.402 -0.428 . . . . 72.21 113.739 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.5 t -55.01 -32.91 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 120.813 0.339 . . . . 62.44 111.664 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.34 -45.84 72.78 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.969 0.414 . . . . 74.43 111.647 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.99 89.58 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.104 -0.569 . . . . 63.21 112.552 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.2 -52.28 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.862 0.363 . . . . 61.1 111.099 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.3 -47.78 77.99 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.95 0.405 . . . . 73.43 111.412 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -57.9 -37.0 73.23 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.881 0.372 . . . . 64.43 111.702 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -62.33 -40.94 98.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.852 0.358 . . . . 74.41 111.526 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.516 ' HB3' HD12 ' A' ' 52' ' ' LEU . 97.8 m-85 -85.9 1.57 49.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.182 0.438 . . . . 74.42 112.182 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 68.81 64.72 0.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.558 0.694 . . . . 70.41 111.045 -174.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' O ' HG21 ' A' ' 33' ' ' ILE . 91.9 mt -128.28 6.4 5.84 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.93 -0.577 . . . . 75.51 111.33 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.93 68.33 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.823 -0.704 . . . . 63.32 112.89 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.31 -2.1 15.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.467 0.543 . . . . 64.34 112.467 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.438 HG21 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -54.26 -32.74 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 112.056 0.391 . . . . 73.51 112.056 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.33 90.11 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.994 -0.622 . . . . 61.2 112.63 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.5 m -75.78 -48.51 21.41 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.877 0.37 . . . . 65.02 111.42 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.5 -7.68 54.78 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.954 0.407 . . . . 65.44 111.837 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.83 32.24 64.01 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 121.272 -0.49 . . . . 63.55 113.707 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.1 20.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.401 0.519 . . . . 51.51 112.401 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -63.27 -35.22 79.63 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.133 0.42 . . . . 65.42 112.133 -177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -93.75 5.58 51.19 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.75 0.309 . . . . 71.23 111.52 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -98.95 148.16 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.924 0.392 . . . . 63.12 111.802 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 96.6 p -71.56 154.65 41.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.173 -0.467 . . . . 42.42 111.837 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.8 mt -52.69 -46.76 67.41 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.997 0.74 . . . . 71.51 112.997 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 43.7 tt0 -65.17 -44.83 87.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.135 0.42 . . . . 70.24 112.135 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.54 -52.94 63.53 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.549 0.214 . . . . 62.51 111.147 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.43 94.81 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 121.119 -0.562 . . . . 74.42 113.211 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.21 24.58 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.851 0.358 . . . . 54.51 111.565 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -62.35 -31.31 71.94 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.645 0.26 . . . . 63.1 111.574 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.69 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.021 0.439 . . . . 74.2 111.336 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -101.91 11.18 38.99 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.304 -0.407 . . . . 72.13 111.599 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.92 52.99 40.5 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.335 -0.46 . . . . 53.53 113.209 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 28' ' ' TYR . 75.8 mt -126.4 163.97 22.12 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.182 0.515 . . . . 71.52 111.947 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -101.05 100.2 10.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.957 -0.565 . . . . 72.23 110.525 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 p -57.84 -31.26 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 N-CA-C 112.185 0.439 . . . . 73.53 112.185 -176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -55.88 -46.31 78.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.212 0.529 . . . . 75.13 111.223 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' ' 59' ' ' ARG . 36.9 t70 -69.79 -39.0 76.85 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.873 -0.603 . . . . 71.23 110.746 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.6 mt -60.0 -46.98 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 116.22 -0.445 . . . . 74.34 111.109 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.2 mt -55.88 -42.83 76.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.497 -0.32 . . . . 74.54 111.102 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' ' 56' ' ' ASP . 31.1 ttp85 -52.61 -54.97 25.89 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.079 -0.51 . . . . 75.53 111.127 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.74 74.36 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.199 -0.455 . . . . 72.4 111.24 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 83.7 mt -67.31 -51.02 57.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.452 -0.34 . . . . 74.33 111.84 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.49 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 46.6 m-80 -68.22 -27.6 66.51 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.934 0.397 . . . . 75.34 111.102 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -29.29 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.224 -0.444 . . . . 64.2 111.655 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.27 -24.41 67.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.192 -0.458 . . . . 73.34 112.038 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 51.12 111.952 179.13 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.56 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.018 0.437 . . . . 73.23 110.424 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.617 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.2 t -123.85 156.28 36.49 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.026 -0.534 . . . . 50.42 111.799 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.1 ptpt -59.16 -21.09 58.84 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.87 0.366 . . . . 72.41 111.864 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.8 -38.17 73.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.874 -0.603 . . . . 70.2 112.598 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.617 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.0 ptm -75.1 154.99 37.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 75.24 111.956 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 42.7 p -84.96 162.95 19.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.186 0.439 . . . . 74.55 112.186 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 87.1 m-85 -54.26 -41.45 68.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.103 -0.498 . . . . 73.41 111.262 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.557 ' HB3' ' HB3' ' A' ' 39' ' ' GLN . . . -60.26 -48.55 81.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.953 0.406 . . . . 71.3 111.41 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.445 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 26.7 mt-30 -56.87 -44.45 82.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.977 0.418 . . . . 75.51 110.982 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.39 70.2 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.167 -0.47 . . . . 53.45 111.602 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 97.5 mt -55.99 -36.74 68.23 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.998 0.428 . . . . 74.12 111.676 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.84 -20.11 58.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.244 0.461 . . . . 73.34 112.244 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.562 HG21 ' HD1' ' A' ' 18' ' ' HIS . 62.5 m -83.27 -36.72 24.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 111.862 0.319 . . . . 74.14 111.862 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.562 ' HD1' HG21 ' A' ' 17' ' ' THR . 13.7 m80 -150.18 125.64 4.91 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 122.386 0.275 . . . . 72.23 111.473 177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.26 -31.07 92.79 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.584 2.189 . . . . 70.33 113.064 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -22.72 65.82 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.261 -0.495 . . . . 42.15 113.596 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.7 -37.78 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 111.79 0.293 . . . . 61.35 111.79 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.38 -47.22 72.91 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.927 0.394 . . . . 53.03 111.397 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.49 -43.83 91.51 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.108 -0.568 . . . . 43.34 112.585 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -52.19 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.956 0.408 . . . . 63.42 111.434 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.18 -42.22 85.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.592 -0.276 . . . . 54.34 111.371 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -59.69 -38.17 80.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.049 0.452 . . . . 74.42 111.242 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -65.24 -30.59 71.49 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.163 0.506 . . . . 65.13 111.246 176.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.442 ' CD2' HG12 ' A' ' 57' ' ' ILE . 42.2 m-85 -93.61 13.59 21.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.481 0.548 . . . . 73.53 112.481 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.2 t30 67.64 24.29 8.53 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 121.603 0.716 . . . . 73.34 111.75 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 33' ' ' ILE . 94.8 mt -106.78 14.82 26.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.044 -0.525 . . . . 74.32 111.485 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -16.99 67.56 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 114.446 0.538 . . . . 62.32 114.446 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.9 m -72.51 -8.3 54.43 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.889 0.7 . . . . 54.35 112.889 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 30' ' ' LEU . 29.0 pt -51.21 -42.17 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.383 0.882 . . . . 52.43 113.383 -175.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.53 -42.07 89.22 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.716 -0.754 . . . . 64.52 113.411 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -72.0 -39.06 69.5 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.398 0.518 . . . . 65.22 112.398 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.2 ptm -85.79 -8.78 57.9 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.073 0.398 . . . . 71.24 112.073 -177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.8 23.55 61.81 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 121.032 -0.604 . . . . 36.13 113.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.36 16.47 0.61 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.38 0.511 . . . . 62.24 112.38 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 31.5 mm-40 -59.44 -26.03 64.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.093 0.473 . . . . 75.32 111.592 178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -87.72 -1.25 57.84 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.104 -0.498 . . . . 62.33 112.066 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -95.94 135.6 37.48 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.897 0.38 . . . . 75.23 111.938 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.625 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 73.7 m -70.05 151.36 45.61 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.487 -0.324 . . . . 70.44 111.567 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -52.32 -50.39 62.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.615 0.598 . . . . 52.25 112.615 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.8 tt0 -63.06 -41.41 99.46 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.206 -0.309 . . . . 70.51 111.685 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.44 -54.71 42.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.942 0.401 . . . . 74.22 110.819 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.28 97.26 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.216 -0.516 . . . . 74.41 113.44 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.23 -59.98 4.04 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.867 0.365 . . . . 65.01 111.412 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -63.16 -35.2 79.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.66 0.266 . . . . 74.41 111.474 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.09 -16.62 64.1 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.008 0.373 . . . . 53.33 112.008 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -112.75 10.66 19.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.771 0.319 . . . . 71.21 111.66 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.29 40.37 49.36 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 121.585 -0.34 . . . . 52.4 113.58 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 mt -127.33 151.05 49.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.437 -0.449 . . . . 53.44 111.279 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.63 116.08 27.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 110.075 -0.343 . . . . 64.13 110.075 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.9 p -56.55 -34.71 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.031 0.382 . . . . 54.32 112.031 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -61.59 -38.5 87.78 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.023 0.379 . . . . 73.3 112.023 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.85 -37.44 84.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.256 0.55 . . . . 72.5 110.108 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 28' ' ' TYR . 39.6 mt -68.77 -46.24 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.778 -0.647 . . . . 74.44 111.144 178.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.9 mt -56.38 -32.89 65.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.768 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -54.95 -56.03 24.16 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.985 0.422 . . . . 73.35 111.26 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.32 -38.52 87.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.152 -0.476 . . . . 55.44 110.92 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.69 -51.5 68.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.853 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -66.29 -29.41 69.62 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.257 -0.277 . . . . 73.44 111.239 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.35 65.82 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.721 0.296 . . . . 53.4 111.593 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.26 -30.6 71.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.051 0.453 . . . . 74.24 111.456 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 112.01 0.374 . . . . 75.32 112.01 -179.553 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 88.0 m-85 . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 120.863 0.363 . . . . 72.55 110.66 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.546 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.8 t -126.01 163.85 22.14 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.051 0.453 . . . . 65.25 111.965 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -63.46 -19.62 64.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.345 -0.388 . . . . 73.31 111.746 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.35 -44.79 78.16 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.947 -0.57 . . . . 74.43 112.358 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -69.55 153.73 43.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.122 0.487 . . . . 65.51 111.843 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.4 p -91.16 167.34 12.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.268 -0.424 . . . . 71.01 112.049 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -57.87 -42.57 84.81 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.082 -0.508 . . . . 73.42 111.393 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -58.93 -43.79 91.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.886 0.374 . . . . 74.43 111.2 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.55 -42.51 98.36 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.211 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.08 90.22 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.38 -0.373 . . . . 72.23 111.639 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -30.01 69.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.898 0.38 . . . . 73.35 111.601 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.3 mm-40 -78.44 -31.8 48.23 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.859 0.362 . . . . 75.43 111.33 176.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -65.07 -52.61 54.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.004 0.43 . . . . 75.35 111.077 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.47 122.83 6.21 Favored Pre-proline 0 N--CA 1.472 0.661 0 CA-C-N 116.388 -0.369 . . . . 72.21 111.234 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.08 -29.41 65.37 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.696 2.264 . . . . 75.34 112.969 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -19.43 61.84 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 121.355 -0.45 . . . . 41.44 113.77 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 79.3 t -58.1 -35.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.835 0.318 . . . . 73.33 111.614 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.37 63.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.95 0.405 . . . . 61.41 111.334 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -37.81 94.45 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.106 -0.568 . . . . 73.55 113.098 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 HD11 ' A' ' 64' ' ' LEU . 59.9 t -63.89 -46.66 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.955 0.407 . . . . 72.25 110.962 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 87.6 mt -58.37 -48.64 79.96 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.266 -0.425 . . . . 51.33 110.722 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -57.39 -44.07 84.19 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.169 0.509 . . . . 74.31 110.963 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.08 -36.01 76.44 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.898 -0.592 . . . . 72.02 111.647 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.5 10.32 25.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.513 0.561 . . . . 73.43 112.513 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 t30 67.25 20.52 10.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.716 0.769 . . . . 64.52 111.486 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 33' ' ' ILE . 96.5 mt -90.17 -1.45 57.94 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.078 -0.51 . . . . 72.24 111.63 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.31 -22.6 30.81 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.339 -0.458 . . . . 42.33 113.566 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.8 m -65.26 -2.34 2.96 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.886 0.698 . . . . 74.11 112.886 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 30' ' ' LEU . 22.6 pt -56.91 -22.71 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 112.481 0.548 . . . . 75.14 112.481 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.93 -52.11 40.21 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.159 -0.543 . . . . 63.53 113.314 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.7 t -72.71 -41.1 65.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.022 0.379 . . . . 62.41 112.022 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -75.39 -9.69 58.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.663 0.268 . . . . 74.25 111.588 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 37.53 93.88 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.323 -0.465 . . . . 74.54 113.337 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 12.83 3.51 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.245 0.461 . . . . 71.11 112.245 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -57.71 -42.46 83.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.124 0.488 . . . . 71.31 111.175 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -89.58 14.73 10.85 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.857 -0.61 . . . . 63.15 111.823 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.29 139.22 45.7 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.712 0.291 . . . . 72.31 111.199 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 63.0 m -64.84 151.23 46.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.252 0.464 . . . . 74.15 112.252 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 9' ' ' MET . 91.3 mt -52.1 -46.84 65.43 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.411 0.522 . . . . 52.04 112.411 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.6 tt0 -63.5 -42.94 98.51 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 122.149 -0.345 . . . . 52.41 111.464 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -57.79 -55.62 32.46 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.891 0.377 . . . . 71.2 111.013 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.62 -36.95 93.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.177 -0.535 . . . . 72.4 113.024 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.67 -58.76 6.93 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.603 -0.351 . . . . 45.12 111.149 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -60.18 -35.01 74.41 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.693 0.283 . . . . 72.5 111.238 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.66 71.21 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.956 0.408 . . . . 53.23 111.333 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.66 0.16 49.35 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.995 0.426 . . . . 75.23 111.517 175.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 45.25 71.24 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 116.368 -0.378 . . . . 53.32 113.439 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.4 mt -125.87 148.43 49.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.907 0.385 . . . . 73.32 111.663 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -70.72 109.71 5.1 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.348 -0.387 . . . . 72.35 111.154 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.4 p -58.34 -35.42 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 112.251 0.463 . . . . 62.43 112.251 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.6 -46.41 85.94 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.003 0.371 . . . . 74.12 112.003 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 26.2 t70 -64.41 -34.23 77.69 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.891 0.376 . . . . 65.31 110.62 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.504 HD11 HD13 ' A' ' 30' ' ' LEU . 63.5 mt -62.78 -47.36 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.165 0.507 . . . . 64.12 110.592 173.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 91.9 mt -57.71 -32.39 67.34 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.03 -0.532 . . . . 74.22 111.501 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 57.8 ttp85 -56.39 -55.12 37.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.878 0.37 . . . . 72.41 111.245 175.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.85 -41.0 96.04 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.141 0.496 . . . . 70.21 110.87 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.25 -51.69 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.298 -0.41 . . . . 73.33 111.991 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 47.8 m-80 -66.71 -25.78 66.7 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.203 -0.31 . . . . 74.25 111.147 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.27 70.89 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.73 0.3 . . . . 63.02 110.944 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 24' ' ' VAL . 91.9 mt -68.69 -25.18 64.66 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.09 0.471 . . . . 73.52 111.217 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.964 0.411 . . . . 61.55 111.127 177.607 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 109.356 -0.609 . . . . 73.12 109.356 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.552 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.7 t -106.23 174.85 5.71 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.49 0.552 . . . . 72.24 112.49 -174.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.715 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.3 ptpt -84.34 -19.85 32.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.335 -0.393 . . . . 75.25 112.01 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.04 -32.81 61.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 72.31 111.507 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 6' ' ' THR . 21.9 ptm -70.66 146.1 50.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.007 0.432 . . . . 74.41 111.153 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 21.4 p -78.44 160.57 27.65 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.912 0.386 . . . . 63.41 111.743 -177.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.404 ' HB3' HD13 ' A' ' 33' ' ' ILE . 87.9 m-85 -53.2 -41.46 65.32 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.334 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.47 79.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.412 -0.358 . . . . 70.12 111.324 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.2 mt-30 -55.97 -48.56 75.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.019 0.438 . . . . 74.35 110.869 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.34 -50.07 75.39 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.174 -0.466 . . . . 64.21 111.969 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 25' ' ' LEU . 97.6 mt -59.03 -33.72 71.07 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.946 0.403 . . . . 75.51 111.842 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -80.07 -17.79 51.75 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 111.869 0.322 . . . . 73.23 111.869 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -74.6 -59.17 2.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.9 0.381 . . . . 73.41 110.868 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.02 123.37 9.51 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 122.722 0.409 . . . . 61.03 110.852 176.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.03 -23.57 53.0 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.815 2.343 . . . . 61.44 113.302 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -30.0 66.0 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 121.297 -0.478 . . . . 64.11 113.16 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.43 HG13 HD22 ' A' ' 61' ' ' LEU . 99.3 t -54.24 -35.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 122.395 0.278 . . . . 62.52 111.558 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.04 77.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.485 -0.325 . . . . 64.15 111.698 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -43.18 99.34 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.158 -0.544 . . . . 52.21 112.821 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.34 -49.01 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.929 0.395 . . . . 51.41 111.53 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 HD12 HD22 ' A' ' 15' ' ' LEU . 87.6 mt -58.35 -47.56 83.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.097 0.475 . . . . 74.54 111.224 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -62.74 -30.31 71.34 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.474 -0.33 . . . . 54.22 111.254 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 t -67.12 -38.86 86.34 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.07 0.462 . . . . 73.23 111.413 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HB3' HD12 ' A' ' 52' ' ' LEU . 23.8 m-85 -84.09 3.04 36.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.338 0.495 . . . . 74.13 112.338 178.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 70.7 63.33 0.19 Allowed 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.797 0.808 . . . . 52.34 111.192 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 33' ' ' ILE . 95.9 mt -133.55 13.34 4.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.595 -0.73 . . . . 64.21 110.735 175.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.65 -21.76 67.37 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.929 -0.653 . . . . 40.42 113.665 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' MET . 50.9 t -77.18 -1.04 27.38 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.299 0.481 . . . . 51.32 112.299 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 30' ' ' LEU . 14.1 pt -52.4 -32.75 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 112.749 0.648 . . . . 74.24 112.749 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.19 -45.54 70.29 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.726 -0.749 . . . . 64.23 112.326 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.438 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 60.3 m -67.25 -50.88 58.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.749 0.309 . . . . 70.01 111.748 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.4 ptm -74.93 2.72 9.7 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.402 0.519 . . . . 72.11 112.402 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.37 13.45 79.85 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 114.152 0.421 . . . . 36.67 114.152 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 5.2 3.17 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.732 0.641 . . . . 73.15 112.732 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.4 -38.94 75.11 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.817 0.341 . . . . 74.44 111.842 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.73 5.41 43.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.925 0.393 . . . . 75.03 111.574 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -103.64 147.05 27.68 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.629 -0.26 . . . . 72.25 110.837 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 95.9 p -70.22 151.13 45.7 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.018 0.437 . . . . 71.02 111.901 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 6' ' ' THR . 86.3 mt -52.58 -40.3 62.46 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.753 0.649 . . . . 73.15 112.753 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.715 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.9 tt0 -66.93 -43.07 84.23 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.833 0.308 . . . . 73.21 111.833 -177.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.22 -52.18 65.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.781 0.324 . . . . 74.24 111.124 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.74 -35.45 86.33 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 121.01 -0.614 . . . . 53.12 112.87 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.5 -56.92 15.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.818 0.342 . . . . 63.13 111.156 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -58.27 -36.11 72.79 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.621 0.248 . . . . 73.54 111.453 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.07 81.24 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.435 -0.348 . . . . 74.34 111.86 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -90.74 -0.23 57.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.824 0.305 . . . . 71.42 111.824 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.72 55.16 6.1 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 121.306 -0.473 . . . . 64.34 112.811 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 28' ' ' TYR . 92.1 mt -128.86 140.21 51.8 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.035 0.445 . . . . 72.42 111.796 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -71.97 103.3 3.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.975 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.47 -35.38 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 116.087 -0.506 . . . . 72.11 112.305 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.82 -36.87 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.697 0.284 . . . . 72.24 111.664 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.42 -32.45 64.42 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.017 0.437 . . . . 70.42 110.72 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.06 -55.14 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.348 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' ' 7' ' ' LYS . 81.9 mt -55.85 -35.58 66.6 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.131 0.491 . . . . 74.22 110.992 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 59' ' ' ARG . 2.1 ttp180 -51.42 -55.67 17.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.611 -0.722 . . . . 73.5 111.675 175.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.71 -33.19 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.954 0.406 . . . . 75.21 111.2 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD22 HG13 ' A' ' 21' ' ' VAL . 83.6 mt -62.43 -51.46 67.45 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 111.955 0.354 . . . . 74.2 111.955 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.071 -0.393 . . . . 63.2 111.117 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.92 71.79 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.695 0.283 . . . . 74.32 111.225 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.84 -35.03 72.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.274 0.559 . . . . 75.24 111.183 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.477 0 CA-C-N 115.999 -0.546 . . . . 75.55 111.431 179.08 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.652 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.7 m-85 . . . . . 0 C--O 1.238 0.455 0 CA-C-O 121.049 0.452 . . . . 54.24 111.899 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -125.09 161.94 25.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.93 -0.577 . . . . 70.42 111.517 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.619 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.1 ptpt -64.49 -28.25 69.53 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.29 0.478 . . . . 63.35 112.29 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.39 4.17 54.41 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.702 0.63 . . . . 63.15 112.702 -171.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.652 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 25.7 ptm -94.18 153.33 18.14 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.891 -0.506 . . . . 63.22 110.721 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.503 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.4 p -76.48 152.33 36.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.24 0.459 . . . . 74.21 112.24 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -54.68 -37.71 66.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.23 -0.441 . . . . 70.45 111.434 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -51.23 70.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.438 -0.346 . . . . 65.34 111.51 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.503 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.7 mt-30 -57.33 -42.97 82.93 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.465 -0.334 . . . . 74.31 111.337 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.24 -50.06 74.07 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.013 0.435 . . . . 72.03 111.178 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.56 -40.37 91.38 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.559 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -68.68 -16.79 63.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.985 0.365 . . . . 71.25 111.985 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.4 m -82.71 -52.95 6.29 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.694 0.283 . . . . 74.21 111.325 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -145.28 128.83 8.53 Favored Pre-proline 0 N--CA 1.476 0.857 0 O-C-N 122.343 -0.223 . . . . 74.24 111.156 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.83 -35.2 87.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.826 2.35 . . . . 74.2 113.511 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -19.13 31.55 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 113.987 0.355 . . . . 63.43 113.987 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.53 -32.25 45.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 116.837 0.318 . . . . 62.23 111.12 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.23 82.39 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.916 0.389 . . . . 64.31 111.281 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.13 98.03 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.21 -0.519 . . . . 63.31 112.96 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 64' ' ' LEU . 62.1 t -62.77 -50.69 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.812 0.339 . . . . 74.04 111.194 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.89 -46.96 81.55 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.721 0.296 . . . . 70.33 111.118 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -63.92 -31.54 72.76 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 122.263 -0.273 . . . . 74.31 111.276 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 47.6 t -61.3 -30.65 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.999 0.428 . . . . 63.01 110.991 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -97.62 18.17 16.15 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.62 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.43 28.7 18.14 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.279 0.562 . . . . 74.43 111.769 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' O ' HG21 ' A' ' 33' ' ' ILE . 73.2 mt -97.26 6.99 47.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 122.55 0.34 . . . . 64.5 111.446 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.95 -27.43 62.15 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.173 -0.537 . . . . 52.54 114.256 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -73.89 3.58 6.5 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.902 0.705 . . . . 62.15 112.902 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.522 HG21 ' O ' ' A' ' 30' ' ' LEU . 18.6 pt -52.21 -36.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 122.14 -0.35 . . . . 70.02 111.862 176.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.23 74.75 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.135 -0.555 . . . . 43.45 112.953 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -82.12 -40.96 21.14 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.91 0.386 . . . . 64.41 111.617 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -88.24 9.34 23.36 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.195 0.443 . . . . 74.11 112.195 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.42 24.51 67.67 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.366 -0.445 . . . . 63.42 113.872 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.34 7.32 6.67 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.31 -0.524 . . . . 71.12 111.869 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -57.89 -39.23 77.39 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.056 0.455 . . . . 75.33 111.357 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -91.5 12.57 20.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.041 -0.527 . . . . 74.22 111.568 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' THR . 34.3 tt0 -107.28 152.15 24.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.52 -0.309 . . . . 75.43 111.104 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 m -71.85 149.92 44.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.936 0.398 . . . . 53.45 112.012 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -54.42 -43.48 71.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.039 -0.528 . . . . 71.33 112.328 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 46.4 tt0 -60.68 -43.62 97.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.862 0.363 . . . . 73.32 111.899 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.31 -50.94 69.66 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.346 -0.388 . . . . 73.11 111.3 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.59 -36.77 90.75 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.025 -0.607 . . . . 54.55 112.787 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.88 29.47 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.735 0.302 . . . . 75.32 111.066 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -60.51 -31.7 70.75 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.74 -0.209 . . . . 71.33 111.406 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -27.96 68.56 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.937 0.399 . . . . 72.12 111.886 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -106.11 8.97 32.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 111.901 0.334 . . . . 64.43 111.901 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 44.86 88.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.234 -0.508 . . . . 51.45 113.181 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.1 mt -123.32 164.75 18.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.911 0.386 . . . . 74.52 111.578 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -98.16 112.7 24.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.251 -0.431 . . . . 72.45 110.931 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 10.6 p -57.43 -33.92 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.963 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.3 -34.44 75.23 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.004 0.431 . . . . 73.52 111.621 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.525 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 39.0 t70 -72.33 -37.54 68.86 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.022 0.439 . . . . 70.45 110.922 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.57 -47.84 87.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.687 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.51 -34.37 64.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.984 -0.553 . . . . 74.42 111.437 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.1 ttp85 -51.35 -56.57 12.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.023 0.44 . . . . 54.4 111.594 174.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.72 -32.87 66.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.379 -0.373 . . . . 72.23 111.306 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.16 -52.23 60.02 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.364 0.505 . . . . 60.43 112.364 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.82 -27.72 67.78 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.096 -0.378 . . . . 74.23 111.167 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.7 69.69 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.82 0.343 . . . . 74.44 111.052 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.458 HD11 HG22 ' A' ' 24' ' ' VAL . 91.8 mt -62.08 -25.33 67.64 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.899 0.381 . . . . 62.35 111.536 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 120.876 0.37 . . . . 51.01 111.629 178.661 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.493 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 . . . . . 0 C--O 1.236 0.393 0 CA-C-O 120.766 0.317 . . . . 75.32 110.872 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.606 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.1 t -135.76 154.17 51.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.2 -0.455 . . . . 54.32 111.366 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.709 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.2 ptpt -60.83 -19.23 59.43 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.911 0.386 . . . . 74.31 111.822 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.37 -36.92 71.62 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.89 -0.595 . . . . 65.25 112.236 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.606 ' HG2' ' O ' ' A' ' 6' ' ' THR . 18.5 ptm -70.9 155.36 40.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.175 0.512 . . . . 72.41 111.536 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.45 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 71.5 p -83.46 159.18 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 74.45 111.908 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -54.59 -40.86 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.266 -0.425 . . . . 74.04 111.372 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.08 84.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.468 -0.333 . . . . 61.55 111.473 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.45 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.9 mt-30 -61.16 -45.17 95.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.617 -0.265 . . . . 74.54 111.499 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.81 71.79 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.811 0.339 . . . . 75.32 111.486 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -56.58 -35.99 68.84 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.247 -0.433 . . . . 37.72 111.723 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -80.05 -24.93 40.36 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.459 0.541 . . . . 55.52 112.459 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.6 m -71.21 -45.79 62.59 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.051 0.453 . . . . 65.13 110.594 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -147.42 118.57 4.55 Favored Pre-proline 0 N--CA 1.474 0.739 0 CA-C-N 116.379 -0.373 . . . . 64.2 111.031 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.22 -23.65 37.92 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.797 2.331 . . . . 74.53 113.49 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.41 -20.58 61.29 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 121.397 -0.43 . . . . 74.02 113.063 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.04 -30.67 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.294 0.238 . . . . 71.53 111.383 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.508 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -53.44 -49.12 68.03 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.921 0.391 . . . . 64.41 111.413 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.17 96.41 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.109 -0.567 . . . . 75.54 112.594 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG22 HD11 ' A' ' 64' ' ' LEU . 46.6 t -59.16 -49.66 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.992 0.425 . . . . 75.4 111.501 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.46 -51.77 67.18 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.268 -0.424 . . . . 74.12 111.222 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 48.5 mtp180 -58.92 -37.38 76.52 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.011 0.434 . . . . 71.14 110.733 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 t -61.8 -30.17 70.64 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.003 -0.544 . . . . 62.45 111.812 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -106.05 29.75 6.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.195 0.442 . . . . 74.3 112.195 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 67.41 6.8 5.12 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.692 0.627 . . . . 71.25 112.692 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.2 mt -91.79 11.63 24.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.719 -0.613 . . . . 44.13 111.815 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.93 -14.53 70.69 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.963 -0.637 . . . . 41.44 113.408 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.7 m -93.59 11.24 29.47 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.354 0.502 . . . . 73.15 112.354 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.61 -35.4 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.374 0.509 . . . . 74.43 112.374 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.82 -24.09 74.2 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.024 -0.607 . . . . 53.52 113.152 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.1 m -85.92 -49.9 7.5 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.813 0.34 . . . . 72.42 111.282 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.46 -21.43 62.79 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.994 0.368 . . . . 65.13 111.994 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.79 65.86 1.28 Allowed Glycine 0 CA--C 1.525 0.704 0 C-N-CA 121.123 -0.56 . . . . 54.33 112.76 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.05 10.5 6.95 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.239 0.829 . . . . 52.32 113.239 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -58.6 -41.27 85.43 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.812 -0.555 . . . . 73.33 111.768 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -93.0 13.09 21.77 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.255 -0.43 . . . . 74.05 111.305 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -106.99 150.33 26.6 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.423 -0.353 . . . . 74.21 110.927 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 50.5 m -73.52 150.63 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.224 0.453 . . . . 70.34 112.224 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.02 -49.0 61.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.78 0.659 . . . . 65.14 112.78 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 34.2 tt0 -59.69 -40.99 89.69 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.975 0.361 . . . . 75.44 111.975 -178.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -60.84 -57.05 14.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.649 0.261 . . . . 64.23 111.279 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.87 -37.31 84.07 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.162 -0.542 . . . . 65.11 112.949 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.96 73.72 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.92 0.391 . . . . 63.13 111.133 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -60.24 -38.16 82.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.442 -0.344 . . . . 65.13 111.327 177.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.99 82.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.099 0.476 . . . . 43.31 111.56 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -91.37 6.49 45.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.45 -0.341 . . . . 73.2 111.854 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.91 53.19 39.11 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.546 -0.359 . . . . 63.22 113.12 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.1 mt -123.56 151.52 42.81 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.257 0.465 . . . . 55.35 112.257 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -82.45 101.5 10.71 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.351 173.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 p -57.83 -31.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.075 0.398 . . . . 55.13 112.075 -177.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.91 -47.97 81.25 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.013 0.435 . . . . 62.3 111.73 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -66.07 -30.26 70.74 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.313 0.577 . . . . 75.44 110.825 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.62 -48.59 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.904 -0.589 . . . . 74.14 110.815 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 99.0 mt -55.39 -36.95 66.96 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.72 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.72 -56.36 16.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.227 0.537 . . . . 74.12 111.125 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.33 -33.27 74.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.846 -0.615 . . . . 71.14 111.113 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.69 -52.17 61.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.389 -0.369 . . . . 74.33 111.738 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -64.9 -30.46 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.795 0.331 . . . . 72.31 111.337 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.93 67.46 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.836 0.351 . . . . 74.42 111.772 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 24' ' ' VAL . 85.4 mt -69.9 -30.28 67.66 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.083 0.468 . . . . 73.44 111.468 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.422 0 CA-C-N 116.146 -0.479 . . . . 65.25 111.606 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.492 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 87.0 m-85 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 109.749 -0.463 . . . . 74.43 109.749 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -128.59 165.66 20.36 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.082 0.468 . . . . 75.31 112.175 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -61.33 -24.05 66.17 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.264 -0.426 . . . . 71.31 111.894 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.46 -44.15 91.99 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.684 0.624 . . . . 74.34 112.684 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.3 ptm -71.37 151.67 43.88 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.224 0.535 . . . . 70.43 112.18 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 58.0 p -78.6 158.83 28.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.099 -0.5 . . . . 75.32 112.17 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.476 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 90.5 m-85 -54.09 -46.84 72.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.2 -0.454 . . . . 74.32 111.616 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.76 82.02 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 72.2 111.988 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.77 -40.23 94.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.498 -0.319 . . . . 72.4 111.555 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.76 85.82 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.954 0.407 . . . . 71.4 111.078 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 86.4 mt -59.17 -41.35 88.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.116 -0.493 . . . . 73.11 111.397 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -69.43 -27.82 65.6 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.821 0.343 . . . . 74.13 111.815 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.6 m -72.42 -42.42 65.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.901 0.382 . . . . 63.45 110.922 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -149.53 112.28 3.44 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.319 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.19 -30.39 25.56 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.666 2.244 . . . . 64.24 113.167 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -26.99 66.73 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.532 -0.366 . . . . 40.1 113.217 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 61' ' ' LEU . 69.3 t -55.72 -36.05 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.813 0.339 . . . . 70.35 111.259 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -54.87 -48.8 72.49 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.483 -0.326 . . . . 64.53 111.395 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.06 98.34 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 121.242 -0.504 . . . . 75.52 112.968 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.86 -52.44 60.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.959 0.409 . . . . 73.52 111.127 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.02 -50.07 74.68 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.356 -0.384 . . . . 61.21 111.488 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 19.9 mtp180 -60.78 -37.2 81.09 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.901 0.381 . . . . 73.04 111.225 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -62.8 -37.75 87.96 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.9 0.381 . . . . 74.44 111.01 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -88.96 30.1 0.97 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.309 0.485 . . . . 63.45 112.309 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 66.04 16.15 10.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.223 0.453 . . . . 75.42 112.223 173.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 33' ' ' ILE . 88.2 mt -100.47 18.16 19.76 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.808 -0.558 . . . . 75.4 111.932 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.27 72.16 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 121.258 -0.496 . . . . 72.41 113.92 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.14 -9.96 58.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.906 0.706 . . . . 74.13 112.906 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 30' ' ' LEU . 32.7 pt -51.27 -31.52 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.666 0.617 . . . . 73.33 112.666 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.47 67.6 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 121.233 -0.508 . . . . 71.21 113.09 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.13 -48.47 8.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.555 -0.38 . . . . 75.43 111.787 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 ptm -75.8 13.97 0.74 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 112.921 0.712 . . . . 63.13 112.921 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.53 5.67 64.21 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 121.219 -0.515 . . . . 54.42 114.053 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.47 -4.45 11.39 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 117.157 0.479 . . . . 72.22 112.265 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.43 -36.96 62.1 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.988 0.423 . . . . 73.14 111.065 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -92.65 13.94 18.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.973 -0.558 . . . . 62.01 111.647 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -115.1 151.01 35.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.825 0.345 . . . . 74.51 111.429 -176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.537 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 71.2 m -72.49 152.33 41.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.079 0.466 . . . . 60.11 112.052 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 6' ' ' THR . 85.8 mt -52.57 -48.23 66.34 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.464 0.913 . . . . 74.21 113.464 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.5 tt0 -68.17 -40.4 82.31 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.127 0.417 . . . . 75.52 112.127 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -55.31 -50.43 69.6 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.057 0.456 . . . . 73.2 110.81 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.46 91.39 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.195 -0.526 . . . . 72.42 112.814 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 122.579 -0.365 . . . . 63.05 111.079 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -58.34 -36.84 74.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.765 0.317 . . . . 74.12 111.522 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.06 70.6 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.978 0.418 . . . . 62.43 111.689 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -106.28 8.82 32.04 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.003 0.372 . . . . 62.4 112.003 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.11 40.36 99.1 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 121.63 -0.319 . . . . 72.04 113.818 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.8 163.44 15.85 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.2 0.524 . . . . 72.04 111.729 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -94.05 113.42 25.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.957 -0.565 . . . . 44.43 110.428 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.7 p -57.53 -33.9 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 116.491 -0.322 . . . . 60.1 111.839 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.4 -31.82 72.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.246 0.461 . . . . 64.42 112.246 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -70.88 -35.45 72.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.262 0.553 . . . . 74.21 109.895 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.406 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 55.8 mt -69.84 -49.93 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.989 -0.55 . . . . 72.24 110.95 175.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 85.8 mt -54.67 -33.34 60.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.323 -0.399 . . . . 73.04 111.275 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.9 ttp-105 -50.98 -53.82 29.78 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.995 -0.548 . . . . 73.04 110.734 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -39.3 66.78 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.819 -0.628 . . . . 70.35 111.156 -177.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 58' ' ' LEU . 76.7 mt -57.49 -51.09 70.87 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.417 -0.356 . . . . 72.2 111.824 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.13 -28.42 65.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.997 0.427 . . . . 74.41 110.683 176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 -16.64 63.97 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.511 -0.313 . . . . 73.23 111.83 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.48 -29.51 67.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.203 0.525 . . . . 74.21 110.722 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.584 0 CA-C-N 116.05 -0.523 . . . . 54.43 111.903 -179.138 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.453 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.5 m-85 . . . . . 0 CA--C 1.537 0.448 0 CA-C-O 120.871 0.367 . . . . 75.44 111.262 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.0 t -112.21 170.65 8.02 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.266 0.555 . . . . 63.42 111.976 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.727 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.7 ptpt -83.37 -11.67 57.37 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.829 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.54 -25.66 19.13 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.039 0.385 . . . . 74.14 112.039 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.2 ptm -69.97 150.3 46.84 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.873 0.368 . . . . 71.32 111.455 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.6 p -77.88 159.22 29.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.884 0.373 . . . . 71.52 111.908 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -55.9 -40.26 72.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.301 -0.408 . . . . 72.15 110.979 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.68 -47.97 72.99 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.101 -0.499 . . . . 62.01 111.743 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.6 mt-30 -57.78 -54.1 50.66 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.986 0.422 . . . . 65.53 111.153 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.24 71.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.108 -0.496 . . . . 71.44 112.024 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.5 HD23 HD12 ' A' ' 25' ' ' LEU . 95.2 mt -59.54 -30.98 68.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.25 0.463 . . . . 72.25 112.25 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -87.74 -20.27 26.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 111.929 0.344 . . . . 72.44 111.929 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.405 HG21 ' HD2' ' A' ' 18' ' ' HIS . 41.5 m -72.13 -59.21 2.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.142 0.496 . . . . 73.54 110.831 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.405 ' HD2' HG21 ' A' ' 17' ' ' THR . 7.3 m-70 -130.23 123.77 20.87 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 122.235 -0.29 . . . . 74.24 110.78 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.7 -30.6 56.96 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.95 2.433 . . . . 61.22 113.282 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.4 -24.1 67.24 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 121.597 -0.335 . . . . 42.32 113.818 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.21 -36.15 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.834 0.317 . . . . 73.24 111.655 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -57.92 -46.81 84.44 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.871 0.367 . . . . 42.44 111.216 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.04 96.79 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.163 -0.542 . . . . 64.15 112.468 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.41 -52.96 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-O 121.06 0.457 . . . . 72.53 111.407 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.5 HD12 HD23 ' A' ' 15' ' ' LEU . 86.0 mt -56.65 -45.0 81.89 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.797 0.295 . . . . 72.31 111.797 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 42.5 mtp180 -63.15 -31.05 72.09 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.799 0.333 . . . . 64.21 111.267 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -69.61 -42.59 74.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.869 0.366 . . . . 63.41 111.486 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -82.8 0.7 42.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.148 0.425 . . . . 74.54 112.148 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.1 t30 69.96 61.67 0.25 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.669 0.747 . . . . 54.34 111.57 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' HG21 ' A' ' 33' ' ' ILE . 81.5 mt -132.02 5.98 4.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.278 -0.874 . . . . 72.24 110.964 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.33 -17.63 62.03 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.224 -0.512 . . . . 53.14 113.299 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 36' ' ' MET . 58.1 m -66.14 -9.94 36.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.33 0.492 . . . . 72.34 112.33 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 30' ' ' LEU . 16.7 pt -51.69 -45.08 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.798 0.666 . . . . 63.33 112.798 -178.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -46.95 93.35 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.623 -0.798 . . . . 62.11 112.708 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.12 -42.79 99.58 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.074 0.398 . . . . 72.13 112.074 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.8 ptm -87.09 1.37 53.17 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.249 0.462 . . . . 73.12 112.249 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.51 28.89 72.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 121.284 -0.484 . . . . 37.27 113.578 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.17 15.49 5.14 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.547 0.573 . . . . 71.23 112.547 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -59.04 -35.62 73.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.228 0.537 . . . . 73.21 111.522 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -79.87 -5.56 55.74 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.823 -0.626 . . . . 73.42 111.997 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -91.56 148.9 21.95 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.36 -0.382 . . . . 62.04 111.072 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.56 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.3 p -78.06 155.14 30.78 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.038 0.447 . . . . 73.32 112.056 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 6' ' ' THR . 86.6 mt -53.06 -44.11 67.2 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.285 0.476 . . . . 70.34 112.285 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.727 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 36.4 tt0 -69.11 -49.51 56.47 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.174 0.435 . . . . 75.42 112.174 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.7 -39.29 90.97 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.911 0.386 . . . . 75.3 110.77 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.0 -42.98 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.974 -0.632 . . . . 37.27 112.954 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.65 -58.29 8.11 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.62 -0.341 . . . . 63.23 111.084 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -61.32 -34.55 75.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.526 -0.306 . . . . 62.21 111.786 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.94 64.02 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.809 0.338 . . . . 52.32 111.639 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -105.41 -7.44 18.77 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.714 0.293 . . . . 72.11 111.69 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.76 37.28 6.14 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 121.432 -0.413 . . . . 44.45 113.84 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.6 mt -123.73 151.22 43.46 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.416 -0.461 . . . . 74.11 111.532 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -88.9 118.73 28.82 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.917 0.389 . . . . 74.32 110.966 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 13.8 p -61.42 -32.85 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.333 0.494 . . . . 70.45 112.333 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.9 -47.62 74.09 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.096 0.474 . . . . 72.15 111.462 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.814 -0.63 . . . . 65.54 111.23 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.57 -47.32 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.962 -0.563 . . . . 71.43 111.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.7 mt -55.52 -34.15 64.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.777 0.322 . . . . 73.44 111.828 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -56.78 -49.97 73.71 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.39 -0.368 . . . . 72.42 111.318 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.96 -34.04 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.986 0.422 . . . . 64.23 111.207 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.05 -52.09 64.19 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.09 0.404 . . . . 75.34 112.09 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -67.25 -25.64 66.17 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 111.756 0.28 . . . . 72.2 111.756 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.85 -30.17 67.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.872 0.368 . . . . 72.42 111.094 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.71 -16.64 64.24 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.119 -0.491 . . . . 73.42 111.701 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 120.911 0.386 . . . . 64.15 111.46 177.744 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.639 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 70.8 m-85 . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 120.827 0.346 . . . . 72.31 110.21 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.607 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.6 t -123.1 161.5 24.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.214 -0.448 . . . . 71.5 111.94 -177.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.702 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -62.75 -24.85 67.9 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.988 0.366 . . . . 44.31 111.988 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -81.21 -24.88 37.15 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.823 0.675 . . . . 71.0 112.823 -173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.639 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.9 ptm -78.12 152.33 32.88 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.037 -0.414 . . . . 75.54 111.524 -176.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.2 p -74.96 156.26 36.5 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.163 0.506 . . . . 73.33 112.302 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -56.15 -41.11 74.89 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.27 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.81 81.1 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.157 -0.474 . . . . 53.31 111.585 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.81 -43.26 98.4 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.901 0.381 . . . . 72.15 111.333 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 21' ' ' VAL . . . -57.27 -49.27 76.6 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.369 -0.378 . . . . 73.14 111.524 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.921 0.341 . . . . 72.35 111.921 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -72.7 -35.23 67.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.143 0.497 . . . . 72.43 111.516 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.4 m -68.52 -42.21 78.83 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.319 -0.4 . . . . 70.22 111.868 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -154.2 122.56 3.02 Favored Pre-proline 0 N--CA 1.473 0.69 0 CA-C-O 120.702 0.287 . . . . 74.42 111.754 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.78 -33.59 88.46 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.8 2.333 . . . . 64.44 112.906 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.63 -21.23 34.7 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.427 -0.416 . . . . 71.03 113.513 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 14' ' ' ALA . 89.8 t -60.85 -35.05 61.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 120.703 0.287 . . . . 62.21 111.096 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.59 79.62 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.499 -0.318 . . . . 71.52 111.343 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.8 -42.03 99.7 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.148 -0.548 . . . . 44.31 112.733 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.27 -53.13 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.937 0.399 . . . . 51.5 111.078 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.08 -50.84 71.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.584 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -56.95 -44.92 83.06 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 111.752 0.279 . . . . 64.32 111.752 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -59.28 -34.28 72.08 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.113 0.483 . . . . 72.52 111.323 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' O ' HD11 ' A' ' 52' ' ' LEU . 7.2 m-85 -90.57 12.41 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.626 0.602 . . . . 72.34 112.626 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 69.95 22.49 5.81 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 121.61 0.719 . . . . 64.42 111.502 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' HG21 ' A' ' 33' ' ' ILE . 80.9 mt -101.21 -2.33 31.55 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.962 -0.462 . . . . 74.22 111.955 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.14 58.87 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.891 -0.671 . . . . 73.2 113.195 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.05 -1.31 14.24 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.651 0.611 . . . . 64.43 112.651 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.535 HG21 ' O ' ' A' ' 30' ' ' LEU . 14.2 pt -49.82 -38.45 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.167 0.432 . . . . 70.12 112.167 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.88 -47.41 83.21 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.019 -0.61 . . . . 72.02 112.523 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.64 -35.23 79.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.182 0.438 . . . . 71.14 112.182 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 ptm -88.8 -6.38 57.42 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.196 -0.315 . . . . 72.41 111.501 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.94 23.5 69.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.281 0.473 . . . . 55.15 114.281 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 24.07 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.451 0.537 . . . . 52.52 112.451 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.14 -43.73 98.18 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.258 0.466 . . . . 72.33 112.258 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -90.23 13.87 14.12 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.924 0.342 . . . . 52.23 111.924 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.82 145.94 29.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.881 0.372 . . . . 73.2 111.136 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 151.3 47.07 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.148 0.499 . . . . 55.54 112.233 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 6' ' ' THR . 90.0 mt -52.43 -45.55 66.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.063 0.764 . . . . 72.33 113.063 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.702 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.2 tt0 -63.5 -44.14 95.2 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.094 0.405 . . . . 71.31 112.094 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.23 -51.71 68.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.692 0.282 . . . . 74.44 111.229 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.82 93.83 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 121.154 -0.546 . . . . 71.1 112.88 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.88 52.47 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.726 0.298 . . . . 72.54 111.131 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -63.29 -33.84 76.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.577 0.227 . . . . 74.04 111.458 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.31 -28.51 68.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.008 0.432 . . . . 52.04 111.322 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -103.62 -1.35 28.33 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.454 -0.339 . . . . 75.5 111.835 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.79 57.38 4.15 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.654 -0.308 . . . . 70.24 113.801 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD11 ' O ' ' A' ' 28' ' ' TYR . 59.5 mt -131.72 165.65 23.26 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.571 -0.37 . . . . 64.02 111.683 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -94.46 112.13 23.9 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.732 -0.469 . . . . 72.24 109.732 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.1 p -59.02 -35.26 56.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 N-CA-C 111.904 0.335 . . . . 74.23 111.904 -178.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.41 -45.23 95.18 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.905 0.383 . . . . 74.04 111.579 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 15.7 t70 -62.48 -35.84 80.62 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.934 0.397 . . . . 61.31 110.8 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.0 mt -67.23 -51.12 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.068 -0.514 . . . . 73.31 110.857 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 89.2 mt -55.91 -32.97 64.24 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.052 -0.522 . . . . 73.31 111.274 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 7.0 ttp85 -51.44 -54.53 25.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.218 -0.446 . . . . 73.14 111.392 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -70.73 -43.08 69.65 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.27 -0.423 . . . . 75.51 110.917 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.443 HD22 HG23 ' A' ' 21' ' ' VAL . 81.0 mt -56.46 -51.33 68.85 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.174 0.435 . . . . 73.32 112.174 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -69.56 -26.76 64.64 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.997 0.427 . . . . 73.4 110.987 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.36 69.5 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.562 -0.29 . . . . 44.21 111.139 175.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.9 -28.54 69.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.994 0.426 . . . . 73.51 111.172 174.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.488 0 CA-C-N 116.181 -0.463 . . . . 61.31 111.599 179.193 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.572 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.3 m-85 . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.17 0.51 . . . . 65.02 111.505 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.555 ' O ' ' HG2' ' A' ' 9' ' ' MET . 6.3 t -139.95 165.3 27.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.179 -0.464 . . . . 71.21 111.516 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.677 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -64.96 -24.69 67.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.367 -0.379 . . . . 70.24 111.848 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.64 -43.37 89.7 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.135 -0.484 . . . . 74.22 112.026 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.8 ptm -74.4 154.04 38.98 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.17 0.51 . . . . 75.31 111.645 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 37.3 p -82.83 162.63 21.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.092 0.472 . . . . 74.52 112.161 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -55.14 -43.34 74.08 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.147 -0.479 . . . . 71.31 111.514 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.82 79.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.869 0.366 . . . . 65.13 111.512 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.3 mt-30 -57.99 -46.77 84.69 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.311 -0.404 . . . . 72.2 111.119 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.61 76.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.826 0.346 . . . . 51.44 111.394 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.78 -35.58 78.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.168 -0.469 . . . . 65.41 111.841 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -76.22 -25.09 54.75 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.94 0.348 . . . . 75.41 111.94 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -73.05 -52.94 12.44 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.572 0.225 . . . . 75.51 110.94 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.6 m-70 -145.85 134.11 10.74 Favored Pre-proline 0 N--CA 1.474 0.738 0 CA-C-O 120.681 0.277 . . . . 74.32 111.286 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 38.3 Cg_exo -60.82 -34.22 91.74 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.959 2.44 . . . . 75.13 113.641 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.86 -22.77 35.34 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 114.096 0.399 . . . . 72.03 114.096 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 89.9 t -54.71 -37.4 39.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.865 0.364 . . . . 75.4 111.717 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.44 76.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.975 0.416 . . . . 52.44 111.617 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.78 94.47 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.274 -0.489 . . . . 62.4 112.413 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.49 -46.66 96.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 120.973 0.416 . . . . 73.0 111.313 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 91.5 mt -57.47 -53.08 62.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.308 -0.405 . . . . 75.11 110.945 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -57.37 -39.06 75.23 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.948 0.404 . . . . 72.43 111.359 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t -61.25 -30.52 70.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.594 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.404 ' O ' HD11 ' A' ' 52' ' ' LEU . 49.9 m-85 -107.52 36.13 2.83 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.734 0.642 . . . . 74.52 112.734 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 66.0 9.44 6.17 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 112.512 0.56 . . . . 62.32 112.512 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.3 mt -94.41 23.74 5.0 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.74 -0.6 . . . . 64.11 111.451 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.36 -5.16 87.59 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.783 -0.722 . . . . 73.25 112.96 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 44.4 t -100.66 15.03 29.53 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.937 0.398 . . . . 74.44 111.625 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -56.58 -35.55 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.336 0.495 . . . . 71.44 112.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.88 -33.83 85.25 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.054 -0.594 . . . . 74.4 113.18 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.666 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 52.2 t -77.54 -33.34 54.22 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.546 -0.385 . . . . 60.53 111.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.7 ptm -91.2 6.1 46.44 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.26 0.467 . . . . 72.12 112.26 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.63 26.86 71.23 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.177 -0.535 . . . . 60.15 113.531 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.11 2.11 13.82 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.902 0.704 . . . . 61.51 112.902 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -56.47 -45.48 80.88 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.927 -0.483 . . . . 61.2 111.313 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -91.97 18.17 8.27 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.277 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -113.83 144.0 43.73 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.249 -0.432 . . . . 74.52 111.147 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.518 ' HB2' HE21 ' A' ' 45' ' ' GLN . 68.4 m -69.73 149.82 47.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.872 0.368 . . . . 74.03 111.753 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 6' ' ' THR . 94.2 mt -52.91 -43.71 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.921 0.711 . . . . 73.02 112.921 -176.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.677 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.3 tt0 -63.88 -48.89 74.88 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.799 0.333 . . . . 75.41 111.666 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.518 HE21 ' HB2' ' A' ' 42' ' ' SER . 51.0 mt-30 -57.21 -40.07 76.71 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.772 0.32 . . . . 63.14 111.729 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.36 64.44 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.176 -0.535 . . . . 71.15 112.69 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.36 -55.12 37.4 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.924 0.393 . . . . 64.42 111.769 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -62.32 -31.6 72.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.722 0.296 . . . . 65.51 111.778 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.42 68.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.125 0.488 . . . . 43.02 111.23 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -105.91 16.29 25.35 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.185 -0.461 . . . . 64.11 111.364 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.38 39.72 96.58 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 116.457 -0.338 . . . . 36.32 113.806 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD11 ' O ' ' A' ' 28' ' ' TYR . 60.0 mt -106.62 168.44 9.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.419 0.628 . . . . 72.44 112.443 -176.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -102.1 102.29 12.75 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.489 -0.778 . . . . 61.14 110.406 174.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.0 p -56.32 -34.17 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 112.554 0.576 . . . . 63.43 112.554 -176.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -59.99 -37.96 81.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.813 0.34 . . . . 72.34 111.835 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 9.7 t70 -74.05 -41.34 61.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.886 0.374 . . . . 74.13 110.454 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.5 mt -55.73 -48.63 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 116.286 -0.416 . . . . 53.41 111.055 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 71.9 mt -58.94 -37.98 77.97 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.881 0.372 . . . . 74.44 111.074 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 13.2 ttp180 -55.89 -51.56 67.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.204 -0.453 . . . . 75.45 111.25 176.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.78 -32.85 68.07 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.186 -0.461 . . . . 40.3 111.364 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.3 -52.38 47.92 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.52 0.563 . . . . 53.42 112.52 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -65.67 -25.02 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.906 -0.496 . . . . 71.34 111.29 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.13 65.29 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.381 -0.372 . . . . 64.33 111.508 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.56 -30.77 71.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.878 0.37 . . . . 71.24 111.585 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 120.951 0.405 . . . . 73.41 111.441 179.409 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.768 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 94.0 m-85 . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 109.523 -0.547 . . . . 72.15 109.523 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.0 t -112.8 173.81 6.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.267 0.556 . . . . 72.21 112.217 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -71.53 -27.13 62.98 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.155 -0.475 . . . . 65.52 111.368 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.04 -33.54 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.652 -0.704 . . . . 71.23 112.396 -175.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.768 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.5 ptm -71.46 152.71 42.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.118 0.485 . . . . 73.35 111.652 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 69.6 p -86.36 162.07 18.38 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.326 0.491 . . . . 74.23 112.326 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -57.43 -40.59 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.241 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.76 77.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.818 0.342 . . . . 54.4 111.265 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.96 -47.18 83.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.377 -0.374 . . . . 72.21 111.299 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.37 66.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.776 0.322 . . . . 53.13 111.786 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.05 -39.97 75.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.087 0.403 . . . . 71.04 112.087 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -76.62 -33.7 58.36 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.576 0.584 . . . . 62.33 112.576 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -58.28 -51.25 70.58 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.816 0.341 . . . . 73.12 111.425 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.2 m-70 -141.39 135.05 14.67 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.554 -0.294 . . . . 72.12 111.623 178.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 31.4 Cg_exo -58.61 -45.73 28.07 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.905 2.403 . . . . 61.04 113.287 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.18 -14.75 27.0 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 114.475 0.55 . . . . 75.52 114.475 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -56.26 -36.1 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 117.156 0.478 . . . . 52.23 111.785 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.89 74.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.002 0.429 . . . . 73.42 111.349 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.03 -37.5 92.84 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 121.295 -0.479 . . . . 60.35 113.099 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.421 HG23 HD11 ' A' ' 64' ' ' LEU . 82.7 t -63.94 -55.2 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 120.927 0.394 . . . . 65.12 111.234 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.79 -48.03 70.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.901 0.382 . . . . 74.05 111.399 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -60.39 -37.91 82.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.903 0.382 . . . . 55.12 111.459 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -61.04 -33.8 73.86 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.911 0.386 . . . . 71.23 111.736 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -97.06 5.87 49.58 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.748 0.647 . . . . 72.43 112.748 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 75.08 54.54 0.07 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.742 0.782 . . . . 75.4 111.171 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' HG21 ' A' ' 33' ' ' ILE . 85.5 mt -130.3 14.46 5.6 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.713 -0.676 . . . . 73.4 110.839 172.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -16.24 76.56 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.001 -0.619 . . . . 55.04 112.858 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' MET . 64.0 m -72.6 -5.45 37.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.332 0.493 . . . . 74.45 112.332 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 30' ' ' LEU . 25.6 pt -54.71 -26.02 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 112.696 0.628 . . . . 74.41 112.696 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.8 -48.14 10.67 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.647 -0.787 . . . . 73.44 112.301 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.72 -42.83 81.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.097 0.406 . . . . 74.14 112.097 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 20.7 ptm -84.35 -5.42 59.27 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.01 0.374 . . . . 70.24 112.01 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 50.6 41.73 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.182 -0.532 . . . . 52.3 113.714 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.19 21.97 14.04 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.423 -0.457 . . . . 62.42 111.873 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -62.93 -47.1 84.68 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.052 0.39 . . . . 73.43 112.052 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -83.76 6.23 21.95 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.324 -0.398 . . . . 72.2 111.559 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -96.09 147.44 23.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.74 0.305 . . . . 72.43 111.231 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 53.1 m -71.37 149.67 45.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.839 0.352 . . . . 73.45 111.677 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.18 -43.91 64.39 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.115 -0.493 . . . . 70.44 112.267 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.669 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.7 tt0 -59.88 -46.6 88.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.029 0.443 . . . . 75.32 111.834 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -62.49 -41.27 98.7 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.231 -0.441 . . . . 63.4 111.333 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.26 -39.21 82.27 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.158 -0.544 . . . . 61.01 112.901 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -55.76 30.24 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.045 0.45 . . . . 53.2 111.223 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -60.23 -29.63 68.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.305 -0.407 . . . . 74.04 111.751 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.9 74.73 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.824 0.345 . . . . 73.44 111.865 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -104.56 11.26 34.49 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 111.706 0.261 . . . . 62.22 111.706 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.61 50.54 48.14 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.428 -0.415 . . . . 38.62 113.282 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.2 mt -124.46 143.64 50.53 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.847 0.356 . . . . 74.22 111.764 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -74.84 114.98 13.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.71 0.291 . . . . 74.44 110.441 173.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 p -56.43 -35.3 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.135 0.42 . . . . 62.41 112.135 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.59 -50.05 75.22 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.908 0.385 . . . . 64.13 111.84 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.35 -37.29 86.99 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.93 0.395 . . . . 75.35 111.281 -176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.44 HD13 HD11 ' A' ' 30' ' ' LEU . 60.6 mt -65.76 -53.05 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.964 0.411 . . . . 65.31 111.158 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 86.2 mt -55.39 -34.48 64.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.407 -0.36 . . . . 71.12 111.61 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -52.99 -55.59 22.39 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.286 -0.415 . . . . 73.11 111.633 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.81 -32.92 71.62 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.86 0.362 . . . . 63.35 111.362 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.43 -51.49 67.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.817 0.342 . . . . 71.13 111.713 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 45.8 m-80 -66.49 -27.99 68.22 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 122.079 -0.388 . . . . 73.52 111.298 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -25.37 67.67 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.715 0.293 . . . . 52.44 111.351 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD11 HG23 ' A' ' 24' ' ' VAL . 92.9 mt -68.01 -31.71 71.59 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.152 0.501 . . . . 63.23 110.979 173.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 116.042 -0.526 . . . . 53.45 111.666 178.343 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.61 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.9 m-85 . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 120.875 0.369 . . . . 73.31 111.503 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -122.28 167.25 13.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.122 -0.49 . . . . 62.25 111.605 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.679 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -69.78 -25.04 63.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.909 0.385 . . . . 64.33 111.601 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -80.06 -31.88 39.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.91 -0.587 . . . . 74.23 112.341 -173.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 26.0 ptm -69.85 158.8 34.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.137 0.494 . . . . 71.31 112.084 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.456 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 22.2 p -84.22 156.65 21.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.179 -0.464 . . . . 72.33 112.131 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -55.0 -43.58 73.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.385 -0.37 . . . . 70.4 111.814 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -55.68 -51.22 67.99 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.775 0.321 . . . . 74.33 111.545 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.456 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.0 mt-30 -56.06 -46.2 79.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.319 -0.401 . . . . 53.44 111.349 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.97 -48.26 82.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.337 -0.392 . . . . 72.23 111.422 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 HD13 ' A' ' 25' ' ' LEU . 96.3 mt -59.72 -34.07 72.44 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.175 -0.466 . . . . 75.42 112.015 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 23.5 mm-40 -76.46 -37.57 56.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.835 0.35 . . . . 65.11 111.236 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -58.5 -51.52 69.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.23 -0.441 . . . . 71.02 111.717 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.89 142.59 18.03 Favored Pre-proline 0 N--CA 1.472 0.636 0 CA-C-O 120.773 0.32 . . . . 71.43 111.201 175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.66 -23.57 14.46 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.707 2.272 . . . . 72.54 113.249 -175.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -24.74 64.84 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.139 -0.553 . . . . 55.5 113.021 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 59.3 t -55.29 -39.94 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 120.749 0.309 . . . . 72.53 111.3 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.61 76.16 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.828 0.347 . . . . 71.23 111.395 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.87 -38.34 93.91 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.235 -0.507 . . . . 74.12 112.769 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.96 -51.17 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 122.57 -0.371 . . . . 70.15 111.407 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 15' ' ' LEU . 83.0 mt -56.8 -46.05 81.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.823 0.344 . . . . 71.44 111.394 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -61.41 -34.96 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.003 0.43 . . . . 73.3 111.234 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -69.54 -34.05 73.67 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.153 0.501 . . . . 74.33 111.477 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -95.92 31.88 2.01 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.259 -0.428 . . . . 74.31 111.855 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.84 -8.94 0.6 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.958 0.725 . . . . 72.53 112.958 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 33' ' ' ILE . 89.4 mt -78.54 3.63 15.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.839 -0.538 . . . . 74.42 111.964 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.19 -11.86 34.88 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 121.27 -0.491 . . . . 65.24 113.779 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.0 m -90.06 8.93 30.14 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.491 0.552 . . . . 75.04 112.491 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 30' ' ' LEU . 18.0 pt -56.29 -33.73 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 112.196 0.443 . . . . 74.14 112.196 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.16 -48.62 73.17 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.911 -0.661 . . . . 61.33 112.882 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.32 -42.32 91.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.941 0.348 . . . . 64.0 111.941 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -83.51 -6.51 59.47 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.814 0.34 . . . . 71.04 111.717 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.54 25.82 75.12 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 121.606 -0.33 . . . . 74.34 113.813 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.74 54.17 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.267 0.556 . . . . 72.14 111.672 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -84.35 -42.93 15.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.263 -0.426 . . . . 72.13 111.124 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.64 -7.14 58.58 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.159 -0.473 . . . . 44.34 111.302 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.42 142.64 40.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.431 -0.35 . . . . 73.02 110.694 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 32.7 m -73.57 150.64 41.32 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.866 0.321 . . . . 63.05 111.866 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 6' ' ' THR . 82.9 mt -51.82 -43.74 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.359 0.503 . . . . 72.11 112.359 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.0 tt0 -62.4 -48.53 79.34 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.802 0.334 . . . . 74.13 111.515 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -55.04 -53.0 61.42 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.268 -0.424 . . . . 70.02 111.286 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.0 -38.28 96.35 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 121.204 -0.522 . . . . 42.52 113.263 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.47 -56.14 25.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.973 0.416 . . . . 74.53 111.326 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -63.04 -29.68 71.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.386 -0.37 . . . . 72.44 111.624 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.04 76.84 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.879 0.371 . . . . 61.11 111.599 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -98.01 6.88 47.14 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.298 0.481 . . . . 75.43 112.298 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 31.76 33.94 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.03 -0.605 . . . . 73.11 114.384 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.4 mt -127.6 166.23 18.43 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.479 -0.424 . . . . 74.33 110.928 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -101.57 132.67 47.09 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 73.24 110.453 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.539 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 12.4 p -61.87 -32.04 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.912 0.708 . . . . 75.54 112.912 -173.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.7 -46.33 88.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.597 0.591 . . . . 73.54 112.597 -174.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -56.77 -42.02 78.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.232 0.539 . . . . 73.31 110.907 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.12 -49.57 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.08 -0.509 . . . . 75.04 110.907 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' HG ' HG22 ' A' ' 54' ' ' VAL . 92.7 mt -56.38 -38.44 71.47 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.506 -0.315 . . . . 63.11 111.406 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.04 -48.01 71.0 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.846 0.355 . . . . 74.14 111.076 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.33 -38.02 68.74 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.776 0.322 . . . . 61.11 111.059 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.27 -51.84 66.09 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.972 0.415 . . . . 63.34 111.884 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -67.43 -26.22 66.31 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.796 0.332 . . . . 64.14 111.038 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.17 66.37 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.623 0.249 . . . . 72.31 111.205 174.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.04 -23.2 64.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.841 0.353 . . . . 63.22 111.364 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.544 0 CA-C-O 121.13 0.49 . . . . 64.41 110.91 175.791 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.537 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 84.8 m-85 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.898 0.38 . . . . 63.13 110.593 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.52 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.8 t -116.16 165.96 12.56 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.048 -0.524 . . . . 75.24 111.572 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.0 ptpt -74.16 -14.5 60.97 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.15 0.426 . . . . 74.24 112.15 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -83.42 -37.23 23.51 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.275 0.472 . . . . 62.14 112.275 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.537 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.2 ptm -63.34 152.19 38.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 120.883 0.373 . . . . 74.22 111.414 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.476 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 45.5 p -81.16 157.39 25.31 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.976 0.417 . . . . 61.13 111.913 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' HB3' HD13 ' A' ' 33' ' ' ILE . 97.9 m-85 -53.53 -43.43 68.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.579 178.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -49.62 73.78 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.383 -0.371 . . . . 63.13 111.714 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.476 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.6 mt-30 -56.02 -49.74 72.84 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.88 0.371 . . . . 74.34 110.997 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.79 -49.05 74.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.315 -0.402 . . . . 75.41 111.581 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HD13 ' A' ' 25' ' ' LEU . 96.7 mt -57.59 -36.16 71.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.099 0.407 . . . . 75.32 112.099 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.41 -19.33 42.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.955 0.407 . . . . 75.44 111.747 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.422 HG21 ' HD1' ' A' ' 18' ' ' HIS . 87.3 m -79.64 -41.1 27.67 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.781 0.324 . . . . 73.52 111.56 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.422 ' HD1' HG21 ' A' ' 17' ' ' THR . 7.3 m80 -149.25 129.12 6.54 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 122.389 0.276 . . . . 53.11 111.327 177.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.28 -36.9 97.24 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.88 2.387 . . . . 63.54 113.319 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -19.98 54.74 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.354 -0.45 . . . . 75.03 113.708 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.44 -34.91 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.828 0.347 . . . . 74.01 111.369 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.75 -46.9 83.85 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.882 0.373 . . . . 55.21 111.206 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.11 98.74 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.094 -0.574 . . . . 72.52 112.836 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.96 -54.27 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.31 111.323 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD13 HD23 ' A' ' 15' ' ' LEU . 91.0 mt -58.77 -42.11 88.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.36 . . . . 72.41 111.578 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -60.69 -44.66 96.27 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.847 0.356 . . . . 65.41 111.226 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -57.65 -42.58 83.74 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.031 0.444 . . . . 62.44 111.313 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.03 20.57 2.23 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.382 0.512 . . . . 71.4 112.382 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 70.01 -3.47 1.75 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 112.566 0.58 . . . . 75.45 112.566 175.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 33' ' ' ILE . 83.2 mt -77.65 -3.13 39.42 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.919 -0.488 . . . . 75.41 112.087 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.03 -17.82 17.52 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 121.357 -0.449 . . . . 62.14 113.577 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.8 m -68.69 -10.86 58.84 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 122.424 -0.457 . . . . 71.13 111.903 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 30' ' ' LEU . 31.6 pt -54.88 -37.19 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.677 0.275 . . . . 70.23 111.351 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.94 52.87 4.76 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.78 -0.528 . . . . 41.34 111.78 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.2 t -172.0 -43.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.88 0.472 . . . . 71.53 110.552 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.5 ptm -88.39 -0.38 57.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.113 0.412 . . . . 74.35 112.113 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 41.15 54.22 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 121.06 -0.591 . . . . 63.32 113.293 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.2 17.61 23.68 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 122.472 -0.428 . . . . 42.53 111.988 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -60.13 -37.99 81.71 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.524 0.565 . . . . 72.53 112.524 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -95.58 19.81 10.53 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.842 0.353 . . . . 74.25 111.921 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -105.6 146.06 30.16 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.713 0.292 . . . . 71.22 110.981 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 m -63.33 150.06 44.26 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.855 0.317 . . . . 74.43 111.855 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 6' ' ' THR . 81.8 mt -53.74 -49.26 68.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.165 0.432 . . . . 73.14 112.165 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 28.4 tt0 -65.24 -37.78 88.31 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.044 0.387 . . . . 61.24 112.044 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -60.46 -48.2 82.78 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.647 0.261 . . . . 70.15 111.123 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.83 -39.29 95.03 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 120.977 -0.63 . . . . 55.23 113.017 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -54.26 49.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.495 -0.415 . . . . 52.24 111.384 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.71 -33.47 66.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.428 -0.351 . . . . 71.21 111.906 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.44 78.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.025 0.44 . . . . 74.32 111.294 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -89.94 -9.4 48.96 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.825 0.345 . . . . 72.12 111.492 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.87 16.56 67.51 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 121.561 -0.352 . . . . 42.12 113.41 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.53 156.75 17.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.81 0.338 . . . . 63.41 111.651 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -86.14 115.37 23.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.998 0.428 . . . . 72.05 111.584 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.7 p -66.07 -29.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.082 0.468 . . . . 61.31 111.88 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.02 -34.55 78.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.916 0.388 . . . . 72.33 111.538 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.561 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 33.0 t70 -71.47 -34.19 69.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.065 0.46 . . . . 75.35 110.391 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 54' ' ' VAL . 54.1 mt -64.72 -42.44 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-O 121.052 0.454 . . . . 74.23 110.608 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.454 HD22 HD11 ' A' ' 61' ' ' LEU . 90.7 mt -56.37 -35.19 67.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.203 -0.453 . . . . 63.02 111.149 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.561 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 51.4 ttp85 -51.75 -54.89 23.56 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.237 -0.438 . . . . 75.24 111.117 173.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 13.6 t0 -66.16 -46.3 77.92 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 120.933 0.397 . . . . 53.1 110.867 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.454 HD11 HD22 ' A' ' 58' ' ' LEU . 89.5 mt -53.98 -49.58 68.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.712 0.634 . . . . 62.33 112.712 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.71 -29.69 62.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.814 0.34 . . . . 74.42 111.063 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.66 -28.3 69.83 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.679 0.276 . . . . 63.52 111.394 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 91.9 mt -55.48 -37.87 68.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.81 0.338 . . . . 63.24 111.784 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.484 0 CA-C-N 116.385 -0.37 . . . . 72.33 111.681 -179.061 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.754 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 109.748 -0.464 . . . . 63.14 109.748 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 9' ' ' MET . 10.2 t -118.74 171.24 8.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.179 0.514 . . . . 72.33 111.933 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.9 ptpt -69.84 -17.12 63.37 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.16 -0.473 . . . . 75.33 112.157 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.42 -35.18 27.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.346 0.499 . . . . 74.22 112.346 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.754 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -70.28 154.93 41.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.052 0.453 . . . . 74.05 111.674 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 32.4 p -83.8 160.65 21.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.948 -177.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -57.17 -38.76 74.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.297 -0.41 . . . . 71.02 111.052 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.04 71.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.648 0.261 . . . . 40.15 111.359 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.441 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.5 mt-30 -56.05 -47.72 77.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.9 0.381 . . . . 74.41 111.081 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.71 -50.12 73.12 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.212 -0.449 . . . . 63.5 111.668 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.46 -42.36 91.82 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.896 0.379 . . . . 75.33 111.645 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.95 -28.86 67.01 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.71 0.291 . . . . 63.31 111.738 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.637 HG21 ' HD1' ' A' ' 18' ' ' HIS . 87.6 m -74.61 -40.44 61.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.899 0.38 . . . . 75.13 111.583 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.637 ' HD1' HG21 ' A' ' 17' ' ' THR . 24.0 m80 -151.51 117.07 3.16 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 111.799 0.296 . . . . 73.33 111.799 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.2 -26.52 42.83 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.691 2.26 . . . . 72.04 112.967 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -26.34 67.35 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 121.416 -0.421 . . . . 65.41 113.317 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.8 t -55.12 -38.32 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.69 -0.3 . . . . 74.13 111.204 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.84 -47.71 73.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.909 0.385 . . . . 73.23 111.153 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.94 99.68 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 121.184 -0.531 . . . . 52.21 112.918 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.23 -47.9 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.769 0.319 . . . . 74.35 111.17 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 92.5 mt -59.04 -43.45 91.65 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.863 0.363 . . . . 75.01 111.096 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.68 -36.2 80.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.894 0.378 . . . . 71.33 111.043 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -66.66 -38.79 87.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.254 0.549 . . . . 65.22 110.888 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 39.2 m-85 -95.62 25.02 4.79 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.867 -0.606 . . . . 74.21 112.079 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 21.0 t-20 71.34 -15.92 0.39 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.253 0.834 . . . . 74.41 113.253 174.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' O ' HG21 ' A' ' 33' ' ' ILE . 94.7 mt -72.06 2.5 5.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.745 0.646 . . . . 75.23 112.745 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.35 -10.38 21.96 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.055 -0.593 . . . . 42.12 113.643 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 36' ' ' MET . 62.2 m -89.09 12.83 14.57 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.404 -0.468 . . . . 51.34 112.219 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG21 ' O ' ' A' ' 30' ' ' LEU . 17.9 pt -53.81 -30.11 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.526 . . . . 64.52 112.419 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.38 88.5 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.808 -0.711 . . . . 75.44 112.452 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -70.61 -38.01 73.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.042 0.386 . . . . 71.24 112.042 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 27.7 ptm -84.84 -3.95 58.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 111.786 0.291 . . . . 70.41 111.786 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.29 52.3 50.46 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.333 -0.461 . . . . 60.55 113.566 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.13 21.61 17.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.829 0.678 . . . . 75.51 112.829 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -61.34 -45.18 95.5 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.911 -0.493 . . . . 72.52 111.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -84.28 -5.79 59.31 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.089 0.471 . . . . 63.43 111.402 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -87.21 145.94 26.19 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.956 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 80.3 p -75.38 150.85 38.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.027 0.441 . . . . 65.24 111.887 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.25 -39.79 31.74 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.882 -0.599 . . . . 52.3 112.061 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -65.1 -48.78 72.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.241 0.46 . . . . 74.41 112.241 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.536 ' HG3' ' OG ' ' A' ' 42' ' ' SER . 72.9 mt-30 -58.1 -50.19 74.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.779 0.323 . . . . 74.3 111.144 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.33 97.31 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.089 -0.577 . . . . 73.21 112.951 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -57.98 10.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.887 0.375 . . . . 71.35 111.46 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -61.59 -34.94 76.48 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.735 0.272 . . . . 64.41 111.735 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.11 -34.59 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.944 0.402 . . . . 71.4 111.497 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -97.2 8.14 45.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 111.776 0.287 . . . . 72.42 111.776 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.84 42.67 60.46 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.54 -0.3 . . . . 71.41 113.83 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.2 mt -120.01 159.56 24.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.007 0.432 . . . . 75.35 111.832 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -89.63 112.6 23.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.297 -0.41 . . . . 64.11 110.7 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.5 p -59.2 -36.88 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 112.159 0.429 . . . . 71.44 112.159 -177.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.22 -38.63 89.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.828 0.346 . . . . 74.31 111.846 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 14.8 t70 -65.17 -35.04 79.83 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.146 0.498 . . . . 71.21 110.715 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -71.03 -51.56 34.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.8 -0.637 . . . . 74.44 111.078 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 83.9 mt -52.71 -36.01 56.68 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.199 0.524 . . . . 74.21 110.972 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 16.7 ttp180 -51.24 -53.09 38.6 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.496 -0.774 . . . . 75.42 111.723 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.95 -38.3 69.82 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.042 0.449 . . . . 74.44 110.865 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.03 -51.27 70.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.105 -0.498 . . . . 74.33 111.989 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 59.0 m-80 -69.55 -30.83 68.72 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.835 0.35 . . . . 75.24 111.101 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.07 -31.97 67.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.677 -0.238 . . . . 44.51 111.472 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.52 -34.86 69.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.172 0.51 . . . . 73.24 111.329 175.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.432 0 CA-C-N 116.16 -0.473 . . . . 55.14 111.882 -179.233 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 110.228 -0.286 . . . . 73.43 110.228 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.3 t -122.08 159.76 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.943 0.402 . . . . 75.3 111.937 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.624 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.6 ptpt -60.05 -26.81 66.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.027 0.442 . . . . 64.33 111.389 177.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.8 -43.76 97.96 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.48 -0.782 . . . . 53.13 112.561 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.5 ptm -73.47 154.2 40.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.286 0.565 . . . . 62.3 111.962 -176.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 63.9 p -83.47 163.97 20.16 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.019 -0.537 . . . . 53.21 112.233 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -55.46 -41.86 73.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.082 -0.508 . . . . 74.21 111.183 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -57.68 -51.23 70.4 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.388 -0.369 . . . . 64.5 111.642 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.3 mt-30 -59.19 -43.77 92.21 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.883 0.373 . . . . 72.34 111.436 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.8 -50.62 72.65 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.926 0.393 . . . . 50.43 111.252 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.46 -37.31 77.85 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.083 -0.508 . . . . 74.01 111.911 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.4 mm-40 -77.2 -24.45 51.35 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.09 0.404 . . . . 75.23 112.09 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.2 m -78.23 -36.77 46.69 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.097 0.475 . . . . 72.33 110.685 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -152.61 109.12 2.74 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.964 175.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.5 -26.28 28.08 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.488 2.125 . . . . 75.51 112.96 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.86 -25.08 61.09 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.479 -0.391 . . . . 70.02 113.12 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.88 -31.77 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.789 0.328 . . . . 72.12 111.192 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.73 -50.76 69.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.767 0.318 . . . . 54.33 111.385 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.79 -35.32 91.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.085 -0.578 . . . . 62.21 112.868 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.82 -52.57 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.831 0.348 . . . . 73.44 111.114 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -55.59 -43.29 75.87 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.982 0.42 . . . . 75.51 110.89 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -59.44 -42.04 91.02 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.342 -0.39 . . . . 74.33 111.082 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.38 -36.05 77.16 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.266 -0.425 . . . . 70.42 111.354 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 73.0 m-85 -99.16 26.12 6.19 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.202 0.445 . . . . 75.42 112.202 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 63.48 12.72 6.6 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.616 0.599 . . . . 75.21 112.616 171.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' HG21 ' A' ' 33' ' ' ILE . 93.5 mt -88.0 2.71 51.1 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.762 -0.587 . . . . 73.34 111.852 177.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.39 -25.6 49.34 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 121.288 -0.482 . . . . 72.41 113.861 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.1 m -73.86 0.81 12.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.832 0.679 . . . . 74.04 112.832 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.514 HG21 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.02 -31.14 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 120.803 0.335 . . . . 73.15 111.7 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -50.73 56.57 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.965 -0.636 . . . . 72.41 112.348 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.73 -32.42 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.245 0.461 . . . . 74.31 112.245 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.8 ptm -94.75 1.09 55.44 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 111.914 0.339 . . . . 72.52 111.914 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.63 21.71 71.11 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.375 -0.441 . . . . 61.33 114.084 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 18.0 0.18 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.897 0.703 . . . . 75.05 112.897 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.9 -32.46 70.76 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.905 0.383 . . . . 72.22 111.534 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.48 8.39 38.95 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.259 -0.428 . . . . 73.14 111.832 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -104.46 143.24 33.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.957 0.408 . . . . 74.23 111.237 -178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 48.0 m -65.97 150.56 48.45 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.318 -0.401 . . . . 72.52 111.993 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -50.87 -49.01 60.09 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.051 0.76 . . . . 73.42 113.051 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.624 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 35.8 tt0 -61.34 -39.79 91.87 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.915 0.339 . . . . 73.03 111.915 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.93 -52.99 60.92 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.532 0.206 . . . . 62.25 111.412 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.12 95.07 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.202 -0.523 . . . . 43.24 112.771 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.27 78.51 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.03 0.443 . . . . 74.43 110.725 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.461 HD21 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -60.99 -36.52 79.67 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.209 -0.45 . . . . 72.12 111.264 177.53 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.99 67.22 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.438 -0.346 . . . . 64.41 111.562 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -100.4 6.33 44.45 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.94 0.348 . . . . 73.43 111.94 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.46 41.83 90.02 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.583 -0.341 . . . . 72.4 113.498 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -122.93 148.21 45.73 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.781 0.324 . . . . 75.51 111.287 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -80.93 115.24 20.31 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.195 0.521 . . . . 74.44 111.066 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 HG22 ' HG ' ' A' ' 58' ' ' LEU . 13.9 p -57.45 -28.72 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.912 -0.585 . . . . 60.45 112.237 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.5 -41.69 90.46 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.306 0.484 . . . . 73.23 112.306 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.31 -32.28 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.102 0.477 . . . . 73.15 110.682 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 30' ' ' LEU . 57.2 mt -68.7 -48.89 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.067 -0.515 . . . . 73.35 110.591 175.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' HG22 ' A' ' 54' ' ' VAL . 91.1 mt -55.22 -39.78 70.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.356 -0.383 . . . . 71.43 111.358 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.405 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 34.9 ttp85 -52.0 -53.32 43.08 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.125 0.488 . . . . 72.13 111.107 174.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -32.23 70.68 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.913 -0.585 . . . . 71.3 110.881 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.07 -52.15 31.47 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.933 0.346 . . . . 62.24 111.933 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -64.75 -24.6 67.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.662 0.268 . . . . 75.11 111.398 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.51 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.607 0.241 . . . . 73.33 111.394 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.4 -17.86 63.03 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.857 0.36 . . . . 74.4 111.407 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 120.873 0.368 . . . . 62.54 111.504 178.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.564 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.4 m-85 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 120.918 0.389 . . . . 73.32 110.727 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.2 t -121.03 170.04 9.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.265 0.555 . . . . 64.51 112.189 -176.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.776 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.9 ptpt -73.32 -17.61 61.28 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.036 -0.529 . . . . 70.41 111.876 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -81.56 -36.52 28.99 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.593 0.59 . . . . 72.43 112.593 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.564 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.6 ptm -67.79 152.1 46.13 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.098 0.475 . . . . 71.34 112.111 -176.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.2 p -86.23 162.05 18.5 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.278 0.473 . . . . 63.45 112.278 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -57.6 -43.1 84.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.231 -0.441 . . . . 72.31 111.717 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.9 83.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.835 0.35 . . . . 74.2 111.313 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.62 -51.0 71.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.853 0.359 . . . . 73.53 110.956 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.99 79.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.404 -0.362 . . . . 73.13 111.901 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD23 HD13 ' A' ' 25' ' ' LEU . 93.4 mt -57.53 -34.63 69.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.277 0.473 . . . . 71.5 112.277 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -94.08 -4.72 48.87 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.085 0.402 . . . . 63.03 112.085 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -79.59 -52.8 7.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.887 0.375 . . . . 73.4 110.731 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.29 134.94 16.84 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 122.618 0.367 . . . . 74.31 111.096 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -59.87 -34.87 95.29 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.804 2.336 . . . . 73.11 113.313 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.15 -19.13 65.76 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.184 -0.531 . . . . 44.41 113.822 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.25 -41.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.964 0.357 . . . . 70.45 111.964 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -51.8 -55.77 17.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.863 0.363 . . . . 74.05 111.823 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -39.32 94.53 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.352 -0.452 . . . . 73.32 113.03 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.35 -46.84 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.961 0.41 . . . . 72.24 111.127 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 HD13 HD23 ' A' ' 15' ' ' LEU . 82.7 mt -57.98 -46.64 84.84 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.87 0.367 . . . . 73.23 110.763 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 59.6 mtp180 -62.11 -32.05 72.57 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.929 0.395 . . . . 72.43 111.171 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -62.11 -31.17 71.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.904 0.383 . . . . 64.21 111.3 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' HB3' HD12 ' A' ' 52' ' ' LEU . 77.2 m-85 -96.32 15.48 21.05 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 111.774 0.287 . . . . 71.41 111.774 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.1 t30 62.62 35.81 14.05 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.521 0.677 . . . . 73.31 111.327 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.501 ' O ' HG21 ' A' ' 33' ' ' ILE . 89.8 mt -102.7 11.88 37.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.053 -0.521 . . . . 71.3 111.555 176.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.47 -23.13 68.31 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.186 -0.53 . . . . 54.24 113.576 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 36' ' ' MET . 48.8 t -74.79 -0.24 17.62 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.363 0.505 . . . . 70.04 112.363 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.501 HG21 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -52.32 -27.12 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.497 0.555 . . . . 72.13 112.497 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.16 -50.08 29.96 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.057 -0.592 . . . . 74.42 112.613 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.99 -42.95 79.98 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.991 0.425 . . . . 74.03 112.055 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.7 ptm -79.3 0.65 27.98 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.922 0.341 . . . . 64.11 111.922 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.81 28.35 69.98 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 114.068 0.387 . . . . 60.11 114.068 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.73 17.47 0.7 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.315 0.487 . . . . 75.13 112.315 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -65.29 -27.89 68.94 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.796 0.332 . . . . 74.4 111.571 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -91.73 -7.64 49.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.878 0.371 . . . . 72.42 111.564 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -93.13 148.68 21.81 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.993 0.425 . . . . 75.3 111.626 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 86.9 p -76.74 155.01 33.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.924 0.392 . . . . 64.23 111.8 -177.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.08 -40.81 67.55 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.276 -0.42 . . . . 41.21 111.827 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.776 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.9 tt0 -65.27 -49.54 69.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.934 0.346 . . . . 53.45 111.934 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -60.69 -45.3 94.69 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.903 0.383 . . . . 73.53 111.058 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.47 92.95 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.116 -0.564 . . . . 36.59 112.588 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.86 52.72 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.755 0.312 . . . . 74.14 111.177 176.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -55.79 -41.66 74.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.486 -0.324 . . . . 75.41 111.258 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.44 99.1 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.021 0.438 . . . . 61.21 111.877 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -90.63 7.63 38.33 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.367 0.506 . . . . 73.15 112.367 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.65 51.02 57.4 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.38 -0.438 . . . . 64.02 113.634 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 28' ' ' TYR . 83.6 mt -126.97 171.52 11.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.1 0.476 . . . . 72.03 111.708 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -100.98 110.46 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.071 -0.513 . . . . 73.1 110.218 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.7 p -57.26 -36.22 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 111.839 0.311 . . . . 73.44 111.839 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.61 -37.45 87.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.014 0.435 . . . . 65.51 111.482 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.1 t70 -74.95 -38.59 61.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.109 0.48 . . . . 73.25 110.798 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.24 -50.23 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.975 0.416 . . . . 72.34 110.503 175.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 88.0 mt -58.24 -34.0 69.97 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.323 -0.399 . . . . 62.43 111.341 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 18.7 ttp180 -54.97 -49.85 70.4 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.06 0.457 . . . . 75.02 111.001 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.39 -40.29 77.46 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.178 -0.464 . . . . 54.25 111.112 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.76 -51.88 65.39 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.178 -0.465 . . . . 75.22 112.164 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -67.16 -25.65 66.26 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.096 -0.377 . . . . 55.43 111.336 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.77 -26.31 65.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.712 0.292 . . . . 43.23 111.232 174.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.07 -26.41 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.094 0.473 . . . . 73.51 111.508 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.539 0 CA-C-N 116.275 -0.42 . . . . 73.45 111.766 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.734 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 93.7 m-85 . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.827 0.346 . . . . 73.13 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.564 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -122.6 166.78 14.3 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.135 -0.484 . . . . 52.54 111.702 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.643 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -63.48 -28.92 70.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.816 0.341 . . . . 70.31 111.41 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.77 -35.96 72.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.931 -0.577 . . . . 74.42 112.49 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.734 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -71.71 148.47 46.38 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.244 0.545 . . . . 62.13 111.498 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.8 p -84.56 162.13 19.93 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.395 0.517 . . . . 65.43 112.395 -176.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -53.73 -42.29 67.95 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.296 -0.411 . . . . 74.24 111.422 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 39' ' ' GLN . . . -57.29 -48.89 77.76 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.389 -0.369 . . . . 71.24 111.325 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.26 -45.02 88.59 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.819 0.342 . . . . 73.03 111.295 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -57.02 -48.82 77.58 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.386 -0.37 . . . . 75.41 111.601 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.86 85.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.021 0.439 . . . . 75.33 111.528 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 28.2 mm-40 -73.39 -21.22 60.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.931 0.396 . . . . 74.54 111.724 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -80.71 -52.71 7.24 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.805 0.336 . . . . 75.52 111.365 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -137.3 120.87 11.81 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 122.337 0.255 . . . . 75.41 111.256 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.92 -34.42 91.78 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.545 2.163 . . . . 75.15 113.125 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -20.32 50.38 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.508 -0.377 . . . . 70.5 113.963 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 14' ' ' ALA . 85.9 t -60.1 -32.76 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 122.595 -0.356 . . . . 74.34 111.623 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -51.03 67.7 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.019 0.438 . . . . 61.33 111.303 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.16 97.58 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 116.185 -0.461 . . . . 73.53 112.683 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.37 -55.37 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.968 0.413 . . . . 62.3 111.173 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.29 -50.93 69.99 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.286 -0.416 . . . . 72.42 111.271 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.66 -32.32 72.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.801 0.296 . . . . 74.3 111.801 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -62.96 -37.96 89.17 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.218 0.533 . . . . 72.04 111.184 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HB3' HD12 ' A' ' 52' ' ' LEU . 28.1 m-85 -89.84 11.56 19.85 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.16 -0.473 . . . . 72.44 112.041 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 63.86 45.97 4.14 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.636 0.731 . . . . 73.13 111.009 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -112.38 13.27 20.26 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.879 -0.601 . . . . 74.44 110.601 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.01 -26.5 68.68 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.251 -0.5 . . . . 73.21 113.615 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.22 -9.96 13.54 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.507 0.558 . . . . 71.11 112.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.0 pt -48.13 -37.58 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 111.988 0.366 . . . . 60.25 111.988 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.13 -41.6 86.35 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.967 -0.635 . . . . 64.41 112.757 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -65.84 -52.06 53.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.761 0.315 . . . . 75.34 111.763 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -76.1 -10.4 59.39 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.76 58.24 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.137 -0.554 . . . . 73.11 113.186 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.2 31.71 0.64 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.073 0.463 . . . . 71.31 111.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.527 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 32.5 mm-40 -62.97 -34.51 77.67 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 122.193 -0.317 . . . . 73.21 111.769 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -89.75 13.45 14.31 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.966 0.412 . . . . 72.13 111.868 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -91.05 134.12 34.76 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.651 0.262 . . . . 54.4 110.36 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 83.6 p -73.6 154.47 39.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.048 0.452 . . . . 74.12 111.425 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt -54.53 -40.39 68.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.027 -0.533 . . . . 61.04 112.413 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.7 tt0 -66.66 -45.63 78.34 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.81 0.3 . . . . 75.54 111.81 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -55.48 -51.36 67.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.949 0.404 . . . . 74.51 111.268 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.77 -37.57 94.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 120.929 -0.653 . . . . 36.6 113.164 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.57 -60.09 3.92 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.504 -0.409 . . . . 63.05 111.435 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -59.67 -39.49 84.64 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.944 0.402 . . . . 65.5 111.587 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -30.32 68.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.228 0.455 . . . . 51.45 112.228 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -102.2 4.76 39.72 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.045 0.387 . . . . 72.24 112.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.71 32.87 39.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.3 -0.476 . . . . 75.33 113.765 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 28' ' ' TYR . 37.6 mt -117.98 163.99 15.76 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.666 0.387 . . . . 75.41 111.629 -176.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -98.75 121.02 40.17 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.141 -0.318 . . . . 61.4 110.141 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.5 p -53.78 -39.43 39.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 111.964 0.357 . . . . 73.11 111.964 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.74 -43.88 97.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.934 0.397 . . . . 64.43 111.457 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 31.7 t70 -62.36 -32.86 73.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.082 0.468 . . . . 65.32 111.103 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.3 mt -74.57 -51.21 23.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.112 -0.495 . . . . 71.21 110.938 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.1 mt -54.3 -31.23 53.46 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.988 0.423 . . . . 71.05 111.153 177.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 4.6 ttp180 -50.77 -56.62 11.21 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.744 -0.662 . . . . 74.52 111.525 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 9.7 t70 -72.86 -40.18 65.88 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.302 -0.408 . . . . 71.34 111.038 -178.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -56.92 -51.62 68.4 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.868 0.322 . . . . 65.24 111.868 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -68.32 -32.37 72.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.692 0.282 . . . . 61.35 110.901 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -24.75 66.03 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.628 -0.26 . . . . 70.43 111.563 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 93.7 mt -69.36 -36.09 76.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.998 0.428 . . . . 73.2 111.454 175.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.065 0.459 . . . . 75.24 111.762 -179.029 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.608 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 121.069 0.461 . . . . 64.14 111.552 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -98.11 -179.32 4.35 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.82 0.343 . . . . 75.43 111.306 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -117.01 131.44 56.95 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.748 0.309 . . . . 71.03 111.247 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -62.96 -22.34 66.73 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.821 0.343 . . . . 75.21 111.528 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.519 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 97.7 m-85 -118.91 114.42 22.57 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.074 -0.512 . . . . 63.21 110.491 172.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.578 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.3 t -121.58 162.17 21.09 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.121 0.486 . . . . 75.32 111.831 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.706 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.5 ptpt -68.56 -20.86 64.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.335 -0.393 . . . . 74.01 111.408 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.68 -31.85 52.73 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.841 -0.618 . . . . 72.21 112.199 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -75.52 159.04 31.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.934 0.397 . . . . 74.21 111.583 -176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 62.0 p -86.09 159.55 19.52 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.373 0.509 . . . . 60.51 112.373 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.17 -43.08 87.29 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.291 -0.413 . . . . 75.24 111.534 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.37 -41.21 79.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.917 0.389 . . . . 70.34 111.735 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.93 -42.84 76.24 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.681 -0.236 . . . . 73.0 111.264 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.02 78.68 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.962 0.411 . . . . 72.04 111.592 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 25' ' ' LEU . 97.0 mt -56.75 -41.43 77.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.234 -0.439 . . . . 72.23 111.875 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -79.46 -8.28 59.01 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.122 0.416 . . . . 74.42 112.122 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.631 HG21 ' HD1' ' A' ' 18' ' ' HIS . 96.3 m -86.46 -41.25 14.56 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.024 0.44 . . . . 72.44 110.974 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.631 ' HD1' HG21 ' A' ' 17' ' ' THR . 57.3 m80 -149.03 115.81 3.74 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 122.518 0.327 . . . . 73.21 110.784 174.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.25 -32.21 59.55 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.485 2.123 . . . . 73.34 113.089 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.31 -21.34 56.75 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 121.382 -0.437 . . . . 71.35 113.558 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.8 t -58.69 -36.08 58.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.683 0.278 . . . . 72.31 111.272 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -56.87 -46.23 81.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.746 0.307 . . . . 74.52 111.269 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.24 -45.36 96.66 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 121.106 -0.568 . . . . 72.2 112.764 177.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.81 -51.17 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.857 0.36 . . . . 65.42 111.098 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 15' ' ' LEU . 85.6 mt -58.03 -49.93 75.18 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 111.745 0.276 . . . . 73.14 111.745 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 73.3 mtp180 -60.54 -37.62 81.83 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.804 0.335 . . . . 75.23 111.294 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 t -65.24 -31.1 72.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.154 0.502 . . . . 70.3 110.971 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.31 20.85 6.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.229 -0.441 . . . . 74.51 112.134 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 68.55 5.0 4.58 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.28 0.562 . . . . 64.12 111.931 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' O ' HG21 ' A' ' 33' ' ' ILE . 96.9 mt -90.56 14.59 12.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.897 -0.502 . . . . 70.13 111.802 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.21 -27.67 73.5 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.872 -0.68 . . . . 73.35 112.834 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.2 m -65.18 -5.96 8.12 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.826 0.676 . . . . 72.02 112.826 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 HG21 ' O ' ' A' ' 30' ' ' LEU . 27.8 pt -54.18 -30.98 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 112.632 0.604 . . . . 44.31 112.632 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.98 -37.86 64.4 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.816 -0.707 . . . . 72.44 112.779 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.86 -52.57 9.24 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.817 0.341 . . . . 52.44 111.705 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -69.22 -2.48 10.61 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.345 0.498 . . . . 70.22 112.345 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.34 27.81 69.11 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.184 -0.531 . . . . 43.15 113.567 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.2 9.51 6.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.478 -0.425 . . . . 60.21 111.989 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.82 -41.96 83.29 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.167 0.508 . . . . 63.04 111.071 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -87.65 13.11 11.03 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.999 -0.546 . . . . 74.51 111.572 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -108.87 146.34 33.87 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.541 -0.299 . . . . 62.01 111.336 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 61.4 m -70.16 150.22 46.73 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.867 0.365 . . . . 72.35 111.958 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 6' ' ' THR . 85.3 mt -53.28 -44.77 68.51 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.53 0.567 . . . . 74.01 112.53 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.706 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -64.81 -35.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 111.86 0.319 . . . . 73.53 111.86 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.19 -49.73 70.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.862 0.363 . . . . 75.43 111.191 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.55 -34.81 90.13 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.002 -0.618 . . . . 71.41 112.903 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -59.28 5.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.725 0.298 . . . . 75.31 111.601 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -60.05 -34.43 73.4 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.705 0.288 . . . . 72.44 111.529 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.88 70.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.992 0.425 . . . . 75.3 111.657 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -100.87 11.18 40.09 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.957 0.408 . . . . 62.0 111.381 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 36.99 85.98 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.244 0.458 . . . . 61.15 114.244 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -120.48 161.48 21.18 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.994 0.426 . . . . 73.02 111.311 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -98.5 123.75 42.83 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.955 0.407 . . . . 60.51 110.078 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 p -61.08 -25.83 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 116.32 -0.4 . . . . 72.23 111.927 -176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -56.11 -51.84 66.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.905 0.383 . . . . 73.43 111.729 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.18 -35.17 79.41 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.126 0.489 . . . . 72.35 111.124 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.18 -52.44 52.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.087 -0.506 . . . . 75.1 110.893 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.7 mt -57.54 -36.66 71.9 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.243 -0.435 . . . . 73.43 111.095 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -52.03 -56.73 12.51 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.075 -0.511 . . . . 74.21 111.53 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -36.42 66.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.653 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.92 -48.16 80.14 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.999 0.428 . . . . 74.01 111.652 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.84 -29.45 70.18 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.012 0.434 . . . . 53.15 111.335 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.57 70.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.354 -0.385 . . . . 72.4 111.153 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.59 -25.63 65.87 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.371 -0.377 . . . . 74.32 111.052 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.71 -39.66 30.71 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.974 0.416 . . . . 64.02 111.421 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.77 -47.78 57.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.287 -0.415 . . . . 73.02 111.577 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 67.72 0.59 2.32 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.493 0.923 . . . . 62.55 113.493 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -78.31 -28.72 47.5 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 122.11 -0.369 . . . . 71.52 111.594 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -73.81 120.87 19.99 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.857 0.36 . . . . 61.31 111.572 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -100.21 126.44 46.49 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 122.185 -0.322 . . . . 75.4 110.822 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -74.79 -10.74 59.8 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.879 0.325 . . . . 72.32 111.879 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -138.43 130.59 28.55 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 120.905 0.383 . . . . 74.41 111.263 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.848 -0.596 . . . . 73.1 111.715 179.498 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.663 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 120.677 0.275 . . . . 71.11 111.278 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m -63.91 116.26 5.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.645 -0.252 . . . . 72.43 111.248 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.32 119.98 12.49 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.801 0.334 . . . . 71.33 111.749 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -61.73 -51.81 66.85 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.951 0.405 . . . . 61.42 110.607 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.652 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 92.0 m-85 -77.5 91.7 3.95 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.028 -0.533 . . . . 64.34 110.253 175.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.0 t -123.32 156.04 36.08 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.305 0.574 . . . . 75.21 111.987 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.792 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -54.4 -26.09 28.46 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.516 0.561 . . . . 72.3 112.516 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.21 -15.08 57.8 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.607 0.595 . . . . 73.1 112.607 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.652 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 23.2 ptm -88.66 158.4 18.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.973 -0.454 . . . . 71.24 110.949 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.468 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 38.4 p -85.38 158.37 20.26 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.0 0.429 . . . . 71.14 112.068 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -55.23 -44.4 75.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.595 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -54.98 -48.91 72.65 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.2 -0.455 . . . . 63.45 111.675 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.468 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.6 mt-30 -56.4 -48.36 77.07 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.832 0.348 . . . . 74.14 111.46 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HB2' HG13 ' A' ' 21' ' ' VAL . . . -58.23 -44.25 88.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.366 -0.379 . . . . 53.4 111.306 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.02 -28.19 69.93 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.157 -0.474 . . . . 74.04 112.151 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 21.6 mm-40 -82.75 -31.39 28.4 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.956 0.408 . . . . 73.42 111.107 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.1 m -67.28 -58.14 5.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.462 -0.335 . . . . 73.22 111.504 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 6.6 m-70 -138.3 131.68 16.48 Favored Pre-proline 0 N--CA 1.471 0.589 0 O-C-N 122.331 -0.23 . . . . 72.21 111.427 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 37.4 Cg_exo -60.97 -33.13 92.8 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.864 2.376 . . . . 72.33 112.959 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.64 53.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.237 -0.438 . . . . 54.3 113.438 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.445 HG13 ' HB2' ' A' ' 14' ' ' ALA . 84.6 t -56.07 -37.67 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.566 0.222 . . . . 74.42 111.419 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.24 76.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.996 0.426 . . . . 62.13 111.4 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -44.12 91.06 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.218 -0.515 . . . . 61.32 112.735 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.431 HG23 HD11 ' A' ' 64' ' ' LEU . 83.9 t -59.73 -49.19 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.916 0.388 . . . . 65.23 111.417 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.1 mt -55.25 -52.41 63.5 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.291 -0.413 . . . . 73.35 110.899 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -56.73 -39.57 74.16 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.837 0.351 . . . . 64.53 111.284 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.9 t -61.62 -36.58 81.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.199 -0.455 . . . . 72.31 112.012 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -88.24 5.15 43.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.083 0.401 . . . . 74.42 112.083 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 69.74 53.54 0.39 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.827 0.822 . . . . 74.44 110.625 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' HG21 ' A' ' 33' ' ' ILE . 99.6 mt -126.39 15.32 7.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.472 -0.785 . . . . 70.45 110.9 175.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -20.29 71.72 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.985 -0.626 . . . . 71.13 112.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.716 ' SG ' ' HB2' ' A' ' 35' ' ' CYS . 42.4 t -81.49 8.21 10.06 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.011 0.374 . . . . 74.11 112.011 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.511 HG21 ' O ' ' A' ' 30' ' ' LEU . 10.3 pt -54.46 -31.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 112.575 0.583 . . . . 54.53 112.575 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -39.7 69.25 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.751 -0.738 . . . . 74.24 112.398 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.716 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 67.2 m -68.91 -39.97 79.39 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.781 0.325 . . . . 70.5 111.721 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.6 ptm -86.41 3.79 42.23 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 111.913 0.338 . . . . 73.54 111.913 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.55 29.95 75.1 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 121.388 -0.434 . . . . 37.38 114.082 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.35 11.25 3.73 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.855 0.687 . . . . 44.53 112.855 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -65.65 -30.49 71.2 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.273 0.558 . . . . 74.1 110.834 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -98.42 20.8 12.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.963 -0.562 . . . . 65.2 111.081 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -123.72 151.05 43.61 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.562 -0.29 . . . . 72.34 111.047 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 82.5 p -76.6 155.23 33.7 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.085 0.469 . . . . 63.3 111.909 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.78 -42.32 64.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.757 -0.656 . . . . 52.3 112.113 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.792 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.9 tt0 -64.68 -48.07 76.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 111.929 0.344 . . . . 73.42 111.929 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.63 -46.47 88.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.744 0.307 . . . . 65.52 111.485 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -45.41 95.97 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.118 -0.563 . . . . 74.3 112.894 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.15 66.88 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.003 0.43 . . . . 64.44 111.159 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' ND2' ' HG2' ' A' ' 44' ' ' GLU . 92.2 m-20 -55.78 -33.04 64.0 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.013 -0.54 . . . . 65.44 112.03 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -36.16 77.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.1 0.476 . . . . 75.42 111.391 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -90.83 5.52 48.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.305 -0.407 . . . . 72.55 111.458 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.15 35.21 90.16 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.621 -0.323 . . . . 74.43 113.697 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -102.63 160.88 14.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.997 0.427 . . . . 75.2 111.992 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -84.25 104.61 14.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.182 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.1 p -58.4 -34.51 50.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 111.886 0.328 . . . . 54.51 111.886 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -60.63 -46.54 89.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.163 0.506 . . . . 61.45 110.855 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 t70 -68.62 -33.09 73.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.143 -0.48 . . . . 71.23 111.147 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 53' ' ' ASN . 59.2 mt -64.23 -53.15 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.902 0.382 . . . . 64.25 111.127 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 7' ' ' LYS . 79.2 mt -55.13 -36.95 66.31 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.114 0.483 . . . . 61.41 110.938 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 1.5 ttp180 -51.44 -56.02 15.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.605 -0.725 . . . . 74.24 111.421 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -72.1 -32.82 67.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.837 0.351 . . . . 70.33 111.47 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.39 -49.48 76.73 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.874 0.368 . . . . 70.44 111.75 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -71.91 -26.7 62.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.973 0.416 . . . . 73.23 111.166 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.37 -23.92 66.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.792 0.33 . . . . 73.22 111.28 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.431 HD11 HG23 ' A' ' 24' ' ' VAL . 96.2 mt -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.802 0.334 . . . . 74.24 111.482 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.22 -36.45 22.75 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.89 0.376 . . . . 64.33 111.52 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.42 -52.68 20.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.706 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 69' ' ' HIS . 44.7 mt-10 59.06 22.93 11.06 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.406 0.891 . . . . 74.11 113.406 177.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -56.44 80.27 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.487 0.661 . . . . 73.43 112.101 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 67' ' ' GLU . 39.2 t-80 174.08 -34.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.402 -0.817 . . . . 65.44 110.409 -176.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -78.7 113.37 16.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.372 -0.377 . . . . 73.43 111.165 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -144.2 116.95 8.71 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.867 0.365 . . . . 71.01 111.015 175.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -90.85 136.89 32.77 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.715 0.293 . . . . 75.12 110.874 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.1 p80 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 119.192 -0.432 . . . . 71.24 111.795 179.785 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mmm . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.887 0.375 . . . . 72.01 110.694 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.7 m -158.2 144.59 17.41 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.536 -0.302 . . . . 75.41 111.109 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -62.86 113.93 3.34 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.56 0.219 . . . . 72.11 110.78 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.51 -44.5 85.08 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.192 0.52 . . . . 72.51 110.839 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.527 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 64.8 m-85 -92.83 92.59 7.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.793 -0.639 . . . . 74.31 109.335 173.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.609 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.8 t -95.3 162.17 13.79 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.352 0.596 . . . . 72.52 112.088 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.848 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.2 ptpt -69.59 -18.19 63.61 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.029 -0.532 . . . . 64.32 111.349 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.17 -37.67 66.47 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.892 -0.594 . . . . 74.33 112.078 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.609 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.1 ptm -70.89 149.47 46.72 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.072 0.463 . . . . 75.34 111.489 -176.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 30.8 p -80.61 165.42 22.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.19 -0.459 . . . . 74.34 112.047 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -56.48 -42.78 78.84 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 61.31 111.043 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.19 88.05 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.323 -0.399 . . . . 71.12 111.46 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.523 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 26.2 mt-30 -58.67 -47.15 85.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.005 0.431 . . . . 71.24 110.872 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.03 74.94 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.35 -0.386 . . . . 71.51 111.654 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.45 -38.16 71.26 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.368 -0.378 . . . . 73.41 111.942 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -75.74 -28.6 58.58 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.86 0.319 . . . . 54.51 111.86 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.624 HG21 ' HD1' ' A' ' 18' ' ' HIS . 90.1 m -67.93 -43.07 79.99 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 111.744 0.276 . . . . 75.35 111.744 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.624 ' HD1' HG21 ' A' ' 17' ' ' THR . 12.1 m80 -149.21 143.1 16.59 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-O 120.788 0.328 . . . . 64.12 111.803 178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.14 -22.63 22.28 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.751 2.301 . . . . 64.44 113.543 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.61 -15.34 80.61 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.235 -0.507 . . . . 52.21 113.625 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.14 -38.34 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.988 0.366 . . . . 74.44 111.988 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.83 -47.33 64.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.911 0.386 . . . . 44.43 111.76 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.11 -42.17 99.58 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 121.148 -0.548 . . . . 63.03 112.819 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -62.05 -50.93 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 120.886 0.374 . . . . 75.52 111.476 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.0 mt -56.6 -47.01 80.52 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.878 0.37 . . . . 73.13 111.343 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -61.86 -43.28 99.17 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.855 0.36 . . . . 71.12 111.279 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 t -58.8 -33.65 70.59 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.14 0.495 . . . . 73.13 111.642 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' C ' ' H ' ' A' ' 30' ' ' LEU . 31.9 m-85 -96.85 25.29 5.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.156 -0.475 . . . . 64.14 112.024 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 70.47 -17.68 0.27 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.752 0.649 . . . . 65.03 112.752 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' O ' HG21 ' A' ' 33' ' ' ILE . 83.2 mt -62.7 -10.32 12.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.416 0.524 . . . . 74.41 112.416 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.06 -22.21 12.52 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.439 -0.41 . . . . 63.53 113.817 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 36' ' ' MET . 71.0 m -73.01 3.17 5.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.547 0.573 . . . . 64.05 112.547 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG21 ' O ' ' A' ' 30' ' ' LEU . 16.0 pt -54.96 -30.32 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.125 0.417 . . . . 74.3 112.125 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.13 -41.5 96.99 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.056 -0.592 . . . . 38.46 112.527 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.6 t -71.57 -55.13 8.39 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.95 0.352 . . . . 72.3 111.95 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.5 ptm -72.08 -12.06 61.04 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.938 0.718 . . . . 54.32 112.938 -174.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.32 48.54 14.18 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.112 -0.566 . . . . 42.21 112.819 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' HG22 ' A' ' 33' ' ' ILE . . . -111.11 64.69 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.429 0.633 . . . . 44.03 110.825 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -99.81 -40.23 7.82 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.345 0.593 . . . . 74.13 110.448 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -90.04 1.68 56.05 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.539 -0.755 . . . . 74.3 111.601 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -91.07 143.57 26.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.792 0.329 . . . . 70.14 111.414 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 35.6 m -71.91 151.21 43.5 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.876 0.369 . . . . 72.13 111.776 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 6' ' ' THR . 99.4 mt -53.27 -46.14 69.15 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.735 0.642 . . . . 74.24 112.735 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.848 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 45.5 tt0 -61.87 -46.71 88.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.12 0.486 . . . . 54.32 111.288 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -57.28 -42.03 80.86 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.91 -0.586 . . . . 53.05 111.226 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.79 88.92 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.067 -0.587 . . . . 53.32 112.931 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.89 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.767 0.317 . . . . 73.22 111.142 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -51.87 -46.28 64.41 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.92 0.391 . . . . 72.3 111.355 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.52 70.87 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.375 0.509 . . . . 74.24 112.375 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -99.24 2.65 45.83 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.003 0.372 . . . . 72.3 112.003 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.35 35.82 92.43 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.333 -0.461 . . . . 72.23 113.271 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.3 mt -105.5 157.77 17.14 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.049 0.452 . . . . 75.21 111.717 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.54 104.47 14.57 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.317 -0.401 . . . . 73.51 110.755 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 8.1 p -54.48 -38.23 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 112.589 0.589 . . . . 72.14 112.589 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.09 -41.38 96.55 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.856 0.36 . . . . 73.11 111.655 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.2 t70 -67.64 -34.69 77.47 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.054 0.455 . . . . 64.42 110.779 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.518 HD13 HD11 ' A' ' 30' ' ' LEU . 57.6 mt -65.92 -52.94 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.785 -0.643 . . . . 74.4 110.947 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 7' ' ' LYS . 80.2 mt -56.97 -34.13 67.77 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.138 -0.483 . . . . 72.33 111.26 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.8 ttp180 -51.83 -55.63 18.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.006 -0.543 . . . . 71.3 111.69 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.15 -34.28 68.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.006 0.431 . . . . 63.41 110.889 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.8 -49.02 78.02 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 74.22 111.889 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.55 -25.74 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.222 -0.298 . . . . 73.12 111.304 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -29.39 67.47 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.783 0.325 . . . . 71.43 110.955 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.09 -32.79 74.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.039 0.447 . . . . 70.41 111.351 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.22 -38.28 43.45 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.264 0.554 . . . . 38.46 111.294 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.5 mt -73.63 -36.65 65.47 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.23 -0.441 . . . . 75.42 111.431 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 66.25 -64.85 0.2 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.682 0.793 . . . . 74.12 113.053 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -45.54 89.28 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.492 1.293 . . . . 73.33 114.492 -174.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -100.48 122.7 43.63 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.498 -0.556 . . . . 72.03 109.498 166.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -72.19 130.18 40.24 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.848 0.356 . . . . 73.34 111.729 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -65.67 -46.21 79.99 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.938 0.399 . . . . 63.15 110.946 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -146.04 128.33 15.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.306 -0.406 . . . . 73.55 110.683 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.826 -0.606 . . . . 75.13 111.631 179.717 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.63 0.252 . . . . 64.42 111.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 t -60.28 174.14 0.58 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.49 0.922 . . . . 72.52 113.49 -174.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.539 HE21 ' ND2' ' A' ' 62' ' ' ASN . 18.3 mt-30 -94.81 164.95 12.72 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.699 -0.682 . . . . 74.02 112.246 -173.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -80.53 -53.36 6.64 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.876 0.369 . . . . 74.41 110.782 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.605 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 -82.8 112.48 19.67 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.883 0.373 . . . . 74.54 110.713 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.615 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.3 t -116.44 165.25 13.43 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.245 -0.434 . . . . 65.1 111.635 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -69.92 -17.75 63.34 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.85 0.357 . . . . 73.15 111.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.32 -26.48 42.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.637 0.606 . . . . 63.05 112.637 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' A' ' 6' ' ' THR . 24.9 ptm -78.25 150.53 33.39 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.961 -0.462 . . . . 53.14 111.148 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.48 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.2 p -82.74 158.6 22.8 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.145 0.424 . . . . 71.22 112.145 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -53.6 -42.7 67.95 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.012 -0.54 . . . . 75.22 111.456 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.21 76.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.323 -0.399 . . . . 63.24 111.326 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.48 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.3 mt-30 -58.47 -47.56 83.65 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.435 -0.348 . . . . 75.31 111.059 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.52 -51.09 66.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.265 -0.425 . . . . 74.34 111.601 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.49 -39.65 84.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.51 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.15 0.41 40.99 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.242 0.46 . . . . 75.34 112.242 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.499 HG21 ' HD1' ' A' ' 18' ' ' HIS . 86.7 m -101.13 -40.83 7.0 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.068 0.461 . . . . 64.14 110.977 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.499 ' HD1' HG21 ' A' ' 17' ' ' THR . 66.0 m80 -149.3 112.71 3.51 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 122.612 0.365 . . . . 70.2 110.946 176.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.97 -34.51 22.93 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.964 2.443 . . . . 70.44 113.75 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.2 -25.43 47.46 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.402 -0.428 . . . . 72.21 113.739 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.5 t -55.01 -32.91 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 120.813 0.339 . . . . 62.44 111.664 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.34 -45.84 72.78 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.969 0.414 . . . . 74.43 111.647 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.99 89.58 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.104 -0.569 . . . . 63.21 112.552 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.2 -52.28 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.862 0.363 . . . . 61.1 111.099 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -56.3 -47.78 77.99 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.95 0.405 . . . . 73.43 111.412 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -57.9 -37.0 73.23 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.881 0.372 . . . . 64.43 111.702 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -62.33 -40.94 98.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.852 0.358 . . . . 74.41 111.526 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.516 ' HB3' HD12 ' A' ' 52' ' ' LEU . 97.8 m-85 -85.9 1.57 49.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.182 0.438 . . . . 74.42 112.182 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 68.81 64.72 0.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.558 0.694 . . . . 70.41 111.045 -174.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' O ' HG21 ' A' ' 33' ' ' ILE . 91.9 mt -128.28 6.4 5.84 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.93 -0.577 . . . . 75.51 111.33 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.93 68.33 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.823 -0.704 . . . . 63.32 112.89 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.31 -2.1 15.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.467 0.543 . . . . 64.34 112.467 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.438 HG21 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -54.26 -32.74 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 112.056 0.391 . . . . 73.51 112.056 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.33 90.11 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.994 -0.622 . . . . 61.2 112.63 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.5 m -75.78 -48.51 21.41 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.877 0.37 . . . . 65.02 111.42 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.5 -7.68 54.78 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.954 0.407 . . . . 65.44 111.837 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.83 32.24 64.01 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 121.272 -0.49 . . . . 63.55 113.707 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.1 20.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.401 0.519 . . . . 51.51 112.401 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -63.27 -35.22 79.63 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.133 0.42 . . . . 65.42 112.133 -177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -93.75 5.58 51.19 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.75 0.309 . . . . 71.23 111.52 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -98.95 148.16 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.924 0.392 . . . . 63.12 111.802 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 96.6 p -71.56 154.65 41.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.173 -0.467 . . . . 42.42 111.837 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.8 mt -52.69 -46.76 67.41 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.997 0.74 . . . . 71.51 112.997 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 43.7 tt0 -65.17 -44.83 87.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.135 0.42 . . . . 70.24 112.135 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.54 -52.94 63.53 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.549 0.214 . . . . 62.51 111.147 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.43 94.81 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 121.119 -0.562 . . . . 74.42 113.211 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.21 24.58 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.851 0.358 . . . . 54.51 111.565 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -62.35 -31.31 71.94 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.645 0.26 . . . . 63.1 111.574 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.69 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.021 0.439 . . . . 74.2 111.336 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -101.91 11.18 38.99 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.304 -0.407 . . . . 72.13 111.599 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.92 52.99 40.5 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.335 -0.46 . . . . 53.53 113.209 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' A' ' 28' ' ' TYR . 75.8 mt -126.4 163.97 22.12 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.182 0.515 . . . . 71.52 111.947 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -101.05 100.2 10.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.957 -0.565 . . . . 72.23 110.525 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 p -57.84 -31.26 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 N-CA-C 112.185 0.439 . . . . 73.53 112.185 -176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -55.88 -46.31 78.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.212 0.529 . . . . 75.13 111.223 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' ' 59' ' ' ARG . 36.9 t70 -69.79 -39.0 76.85 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.873 -0.603 . . . . 71.23 110.746 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.6 mt -60.0 -46.98 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 116.22 -0.445 . . . . 74.34 111.109 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.2 mt -55.88 -42.83 76.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.497 -0.32 . . . . 74.54 111.102 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' ' 56' ' ' ASP . 31.1 ttp85 -52.61 -54.97 25.89 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.079 -0.51 . . . . 75.53 111.127 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.74 74.36 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.199 -0.455 . . . . 72.4 111.24 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 83.7 mt -67.31 -51.02 57.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.452 -0.34 . . . . 74.33 111.84 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.539 ' ND2' HE21 ' A' ' 3' ' ' GLN . 46.6 m-80 -68.22 -27.6 66.51 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.934 0.397 . . . . 75.34 111.102 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.597 ' HB2' ' HE2' ' A' ' 68' ' ' HIS . . . -55.52 -29.29 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.224 -0.444 . . . . 64.2 111.655 175.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.27 -24.41 67.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.192 -0.458 . . . . 73.34 112.038 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -102.14 -27.52 12.85 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 51.12 111.952 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.3 mt -81.23 -18.51 45.82 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.156 0.428 . . . . 73.04 112.156 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 69' ' ' HIS . 43.9 mt-10 68.33 -78.52 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.754 0.421 . . . . 51.22 112.089 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.597 ' HE2' ' HB2' ' A' ' 63' ' ' ALA . 9.8 p80 40.97 16.52 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.386 1.254 . . . . 73.45 114.386 -174.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 67' ' ' GLU . 23.0 m-70 -113.31 -63.6 1.42 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.433 0.635 . . . . 74.14 109.365 169.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -65.71 -14.17 60.74 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.088 -0.96 . . . . 73.41 111.297 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 86.4 t60 -148.71 104.66 3.49 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.46 -0.336 . . . . 64.32 111.0 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -157.07 117.02 3.47 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.892 0.377 . . . . 74.43 111.505 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.0 m80 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.908 -0.568 . . . . 74.24 111.743 177.172 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.7 pmm? . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 112.133 0.42 . . . . 72.14 112.133 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.7 m -98.47 140.39 32.79 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.465 0.542 . . . . 63.13 112.465 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -102.81 133.69 47.46 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.099 -0.501 . . . . 72.23 110.492 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -68.12 -46.63 70.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.246 0.546 . . . . 73.22 110.643 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.56 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 -98.11 119.61 37.06 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.813 -0.63 . . . . 73.23 110.424 176.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.617 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.2 t -123.85 156.28 36.49 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.026 -0.534 . . . . 50.42 111.799 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.1 ptpt -59.16 -21.09 58.84 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.87 0.366 . . . . 72.41 111.864 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.8 -38.17 73.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.874 -0.603 . . . . 70.2 112.598 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.617 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.0 ptm -75.1 154.99 37.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 75.24 111.956 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.625 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 42.7 p -84.96 162.95 19.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.186 0.439 . . . . 74.55 112.186 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 87.1 m-85 -54.26 -41.45 68.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.103 -0.498 . . . . 73.41 111.262 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.557 ' HB3' ' HB3' ' A' ' 39' ' ' GLN . . . -60.26 -48.55 81.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.953 0.406 . . . . 71.3 111.41 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 26.7 mt-30 -56.87 -44.45 82.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.977 0.418 . . . . 75.51 110.982 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.39 70.2 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.167 -0.47 . . . . 53.45 111.602 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 97.5 mt -55.99 -36.74 68.23 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.998 0.428 . . . . 74.12 111.676 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.84 -20.11 58.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.244 0.461 . . . . 73.34 112.244 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.562 HG21 ' HD1' ' A' ' 18' ' ' HIS . 62.5 m -83.27 -36.72 24.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 111.862 0.319 . . . . 74.14 111.862 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.562 ' HD1' HG21 ' A' ' 17' ' ' THR . 13.7 m80 -150.18 125.64 4.91 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 122.386 0.275 . . . . 72.23 111.473 177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.26 -31.07 92.79 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.584 2.189 . . . . 70.33 113.064 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -22.72 65.82 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.261 -0.495 . . . . 42.15 113.596 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.7 -37.78 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 111.79 0.293 . . . . 61.35 111.79 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.38 -47.22 72.91 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.927 0.394 . . . . 53.03 111.397 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.49 -43.83 91.51 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.108 -0.568 . . . . 43.34 112.585 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -52.19 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.956 0.408 . . . . 63.42 111.434 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.18 -42.22 85.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.592 -0.276 . . . . 54.34 111.371 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -59.69 -38.17 80.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.049 0.452 . . . . 74.42 111.242 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -65.24 -30.59 71.49 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.163 0.506 . . . . 65.13 111.246 176.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.442 ' CD2' HG12 ' A' ' 57' ' ' ILE . 42.2 m-85 -93.61 13.59 21.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.481 0.548 . . . . 73.53 112.481 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.2 t30 67.64 24.29 8.53 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 121.603 0.716 . . . . 73.34 111.75 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 33' ' ' ILE . 94.8 mt -106.78 14.82 26.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.044 -0.525 . . . . 74.32 111.485 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -16.99 67.56 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 114.446 0.538 . . . . 62.32 114.446 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.9 m -72.51 -8.3 54.43 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.889 0.7 . . . . 54.35 112.889 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 30' ' ' LEU . 29.0 pt -51.21 -42.17 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.383 0.882 . . . . 52.43 113.383 -175.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.53 -42.07 89.22 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.716 -0.754 . . . . 64.52 113.411 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -72.0 -39.06 69.5 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.398 0.518 . . . . 65.22 112.398 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.2 ptm -85.79 -8.78 57.9 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.073 0.398 . . . . 71.24 112.073 -177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.8 23.55 61.81 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 121.032 -0.604 . . . . 36.13 113.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.36 16.47 0.61 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.38 0.511 . . . . 62.24 112.38 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 31.5 mm-40 -59.44 -26.03 64.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.093 0.473 . . . . 75.32 111.592 178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -87.72 -1.25 57.84 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.104 -0.498 . . . . 62.33 112.066 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -95.94 135.6 37.48 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.897 0.38 . . . . 75.23 111.938 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.625 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 73.7 m -70.05 151.36 45.61 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.487 -0.324 . . . . 70.44 111.567 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -52.32 -50.39 62.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.615 0.598 . . . . 52.25 112.615 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.8 tt0 -63.06 -41.41 99.46 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.206 -0.309 . . . . 70.51 111.685 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.44 -54.71 42.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.942 0.401 . . . . 74.22 110.819 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.28 97.26 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.216 -0.516 . . . . 74.41 113.44 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.23 -59.98 4.04 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.867 0.365 . . . . 65.01 111.412 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -63.16 -35.2 79.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.66 0.266 . . . . 74.41 111.474 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.09 -16.62 64.1 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.008 0.373 . . . . 53.33 112.008 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -112.75 10.66 19.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.771 0.319 . . . . 71.21 111.66 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.29 40.37 49.36 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 121.585 -0.34 . . . . 52.4 113.58 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 mt -127.33 151.05 49.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.437 -0.449 . . . . 53.44 111.279 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.63 116.08 27.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 110.075 -0.343 . . . . 64.13 110.075 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.9 p -56.55 -34.71 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.031 0.382 . . . . 54.32 112.031 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -61.59 -38.5 87.78 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.023 0.379 . . . . 73.3 112.023 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.85 -37.44 84.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.256 0.55 . . . . 72.5 110.108 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 28' ' ' TYR . 39.6 mt -68.77 -46.24 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.778 -0.647 . . . . 74.44 111.144 178.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.9 mt -56.38 -32.89 65.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.768 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -54.95 -56.03 24.16 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.985 0.422 . . . . 73.35 111.26 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.32 -38.52 87.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.152 -0.476 . . . . 55.44 110.92 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.69 -51.5 68.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.853 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -66.29 -29.41 69.62 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.257 -0.277 . . . . 73.44 111.239 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.35 65.82 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.721 0.296 . . . . 53.4 111.593 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.26 -30.6 71.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.051 0.453 . . . . 74.24 111.456 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.16 -41.86 10.77 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.01 0.374 . . . . 75.32 112.01 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.1 mt -77.12 -44.53 30.08 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.962 0.41 . . . . 72.04 111.78 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 61.96 -87.94 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.125 0.57 . . . . 63.21 112.307 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.1 p80 41.45 24.01 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.255 0.835 . . . . 71.54 113.255 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -108.91 105.92 15.67 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.627 -0.509 . . . . 73.4 109.627 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -109.39 174.41 5.88 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.114 0.783 . . . . 74.54 113.114 -169.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -120.99 115.15 22.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.18 -0.464 . . . . 65.34 111.869 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -87.16 174.37 8.67 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.55 -0.296 . . . . 73.4 110.318 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.796 -0.621 . . . . 75.03 111.393 179.498 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.0 tpp . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 120.388 0.137 . . . . 63.41 110.765 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -56.45 116.99 3.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.556 0.576 . . . . 74.24 112.556 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -102.94 127.16 50.27 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.988 -0.375 . . . . 74.44 109.988 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -63.08 -29.0 70.46 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.48 0.548 . . . . 72.11 112.48 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 88.0 m-85 -106.24 113.34 26.81 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.863 0.363 . . . . 72.55 110.66 175.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.546 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.8 t -126.01 163.85 22.14 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.051 0.453 . . . . 65.25 111.965 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -63.46 -19.62 64.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.345 -0.388 . . . . 73.31 111.746 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.35 -44.79 78.16 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.947 -0.57 . . . . 74.43 112.358 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -69.55 153.73 43.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.122 0.487 . . . . 65.51 111.843 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.4 p -91.16 167.34 12.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.268 -0.424 . . . . 71.01 112.049 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -57.87 -42.57 84.81 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.082 -0.508 . . . . 73.42 111.393 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -58.93 -43.79 91.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.886 0.374 . . . . 74.43 111.2 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.55 -42.51 98.36 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.211 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -46.08 90.22 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.38 -0.373 . . . . 72.23 111.639 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -30.01 69.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.898 0.38 . . . . 73.35 111.601 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.3 mm-40 -78.44 -31.8 48.23 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.859 0.362 . . . . 75.43 111.33 176.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -65.07 -52.61 54.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.004 0.43 . . . . 75.35 111.077 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.47 122.83 6.21 Favored Pre-proline 0 N--CA 1.472 0.661 0 CA-C-N 116.388 -0.369 . . . . 72.21 111.234 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.08 -29.41 65.37 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.696 2.264 . . . . 75.34 112.969 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -19.43 61.84 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 121.355 -0.45 . . . . 41.44 113.77 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 79.3 t -58.1 -35.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.835 0.318 . . . . 73.33 111.614 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.37 63.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.95 0.405 . . . . 61.41 111.334 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -37.81 94.45 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.106 -0.568 . . . . 73.55 113.098 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG23 HD11 ' A' ' 64' ' ' LEU . 59.9 t -63.89 -46.66 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.955 0.407 . . . . 72.25 110.962 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 87.6 mt -58.37 -48.64 79.96 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.266 -0.425 . . . . 51.33 110.722 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -57.39 -44.07 84.19 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.169 0.509 . . . . 74.31 110.963 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.08 -36.01 76.44 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.898 -0.592 . . . . 72.02 111.647 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.5 10.32 25.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.513 0.561 . . . . 73.43 112.513 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 t30 67.25 20.52 10.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.716 0.769 . . . . 64.52 111.486 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 33' ' ' ILE . 96.5 mt -90.17 -1.45 57.94 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.078 -0.51 . . . . 72.24 111.63 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.31 -22.6 30.81 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.339 -0.458 . . . . 42.33 113.566 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.8 m -65.26 -2.34 2.96 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.886 0.698 . . . . 74.11 112.886 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 30' ' ' LEU . 22.6 pt -56.91 -22.71 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 112.481 0.548 . . . . 75.14 112.481 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.93 -52.11 40.21 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.159 -0.543 . . . . 63.53 113.314 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.7 t -72.71 -41.1 65.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.022 0.379 . . . . 62.41 112.022 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -75.39 -9.69 58.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.663 0.268 . . . . 74.25 111.588 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 37.53 93.88 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.323 -0.465 . . . . 74.54 113.337 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 12.83 3.51 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.245 0.461 . . . . 71.11 112.245 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -57.71 -42.46 83.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.124 0.488 . . . . 71.31 111.175 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -89.58 14.73 10.85 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.857 -0.61 . . . . 63.15 111.823 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.29 139.22 45.7 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.712 0.291 . . . . 72.31 111.199 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 63.0 m -64.84 151.23 46.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.252 0.464 . . . . 74.15 112.252 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 9' ' ' MET . 91.3 mt -52.1 -46.84 65.43 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.411 0.522 . . . . 52.04 112.411 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.6 tt0 -63.5 -42.94 98.51 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 122.149 -0.345 . . . . 52.41 111.464 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -57.79 -55.62 32.46 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.891 0.377 . . . . 71.2 111.013 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.62 -36.95 93.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.177 -0.535 . . . . 72.4 113.024 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.67 -58.76 6.93 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.603 -0.351 . . . . 45.12 111.149 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -60.18 -35.01 74.41 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.693 0.283 . . . . 72.5 111.238 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.66 71.21 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.956 0.408 . . . . 53.23 111.333 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.66 0.16 49.35 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.995 0.426 . . . . 75.23 111.517 175.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 45.25 71.24 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 116.368 -0.378 . . . . 53.32 113.439 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.4 mt -125.87 148.43 49.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.907 0.385 . . . . 73.32 111.663 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -70.72 109.71 5.1 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.348 -0.387 . . . . 72.35 111.154 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.4 p -58.34 -35.42 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 112.251 0.463 . . . . 62.43 112.251 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.6 -46.41 85.94 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.003 0.371 . . . . 74.12 112.003 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 26.2 t70 -64.41 -34.23 77.69 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.891 0.376 . . . . 65.31 110.62 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.504 HD11 HD13 ' A' ' 30' ' ' LEU . 63.5 mt -62.78 -47.36 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.165 0.507 . . . . 64.12 110.592 173.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 91.9 mt -57.71 -32.39 67.34 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.03 -0.532 . . . . 74.22 111.501 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 57.8 ttp85 -56.39 -55.12 37.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.878 0.37 . . . . 72.41 111.245 175.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.85 -41.0 96.04 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.141 0.496 . . . . 70.21 110.87 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.25 -51.69 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.298 -0.41 . . . . 73.33 111.991 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 47.8 m-80 -66.71 -25.78 66.7 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.203 -0.31 . . . . 74.25 111.147 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.27 70.89 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.73 0.3 . . . . 63.02 110.944 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 24' ' ' VAL . 91.9 mt -68.69 -25.18 64.66 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.09 0.471 . . . . 73.52 111.217 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.58 -48.2 12.08 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.964 0.411 . . . . 61.55 111.127 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.62 -59.32 2.9 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.058 -0.519 . . . . 72.12 111.614 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 63.95 -66.08 0.12 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.322 0.649 . . . . 74.23 112.022 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -57.16 119.75 6.9 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.086 0.47 . . . . 73.34 111.236 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -75.13 -22.78 57.93 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.049 0.452 . . . . 74.4 111.476 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -75.53 134.86 40.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.9 0.381 . . . . 75.05 110.387 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -142.62 142.79 32.16 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.722 0.296 . . . . 55.34 111.432 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -85.28 -21.97 28.77 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 111.737 0.273 . . . . 70.22 111.737 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.0 m170 . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.657 -0.687 . . . . 73.53 111.056 174.167 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.496 0.189 . . . . 73.44 110.619 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 t -137.7 144.38 41.73 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.06 0.457 . . . . 72.34 112.153 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -96.13 118.59 33.02 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.616 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -71.84 -27.44 62.9 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.023 0.44 . . . . 74.31 110.473 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -108.17 98.18 7.77 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.356 -0.609 . . . . 73.12 109.356 169.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.552 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.7 t -106.23 174.85 5.71 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.49 0.552 . . . . 72.24 112.49 -174.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.715 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.3 ptpt -84.34 -19.85 32.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.335 -0.393 . . . . 75.25 112.01 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.04 -32.81 61.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 72.31 111.507 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 6' ' ' THR . 21.9 ptm -70.66 146.1 50.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.007 0.432 . . . . 74.41 111.153 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 21.4 p -78.44 160.57 27.65 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.912 0.386 . . . . 63.41 111.743 -177.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' HB3' HD13 ' A' ' 33' ' ' ILE . 87.9 m-85 -53.2 -41.46 65.32 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.334 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.47 79.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.412 -0.358 . . . . 70.12 111.324 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.2 mt-30 -55.97 -48.56 75.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.019 0.438 . . . . 74.35 110.869 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.34 -50.07 75.39 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.174 -0.466 . . . . 64.21 111.969 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 25' ' ' LEU . 97.6 mt -59.03 -33.72 71.07 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.946 0.403 . . . . 75.51 111.842 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -80.07 -17.79 51.75 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 111.869 0.322 . . . . 73.23 111.869 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -74.6 -59.17 2.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.9 0.381 . . . . 73.41 110.868 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.02 123.37 9.51 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 122.722 0.409 . . . . 61.03 110.852 176.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.03 -23.57 53.0 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.815 2.343 . . . . 61.44 113.302 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -30.0 66.0 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 121.297 -0.478 . . . . 64.11 113.16 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.43 HG13 HD22 ' A' ' 61' ' ' LEU . 99.3 t -54.24 -35.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 122.395 0.278 . . . . 62.52 111.558 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.04 77.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.485 -0.325 . . . . 64.15 111.698 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -43.18 99.34 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.158 -0.544 . . . . 52.21 112.821 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.34 -49.01 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.929 0.395 . . . . 51.41 111.53 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 HD12 HD22 ' A' ' 15' ' ' LEU . 87.6 mt -58.35 -47.56 83.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.097 0.475 . . . . 74.54 111.224 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -62.74 -30.31 71.34 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.474 -0.33 . . . . 54.22 111.254 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 t -67.12 -38.86 86.34 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.07 0.462 . . . . 73.23 111.413 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HB3' HD12 ' A' ' 52' ' ' LEU . 23.8 m-85 -84.09 3.04 36.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.338 0.495 . . . . 74.13 112.338 178.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 70.7 63.33 0.19 Allowed 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.797 0.808 . . . . 52.34 111.192 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 33' ' ' ILE . 95.9 mt -133.55 13.34 4.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.595 -0.73 . . . . 64.21 110.735 175.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.65 -21.76 67.37 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.929 -0.653 . . . . 40.42 113.665 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' MET . 50.9 t -77.18 -1.04 27.38 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.299 0.481 . . . . 51.32 112.299 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 30' ' ' LEU . 14.1 pt -52.4 -32.75 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 112.749 0.648 . . . . 74.24 112.749 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.19 -45.54 70.29 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.726 -0.749 . . . . 64.23 112.326 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 60.3 m -67.25 -50.88 58.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.749 0.309 . . . . 70.01 111.748 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.4 ptm -74.93 2.72 9.7 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.402 0.519 . . . . 72.11 112.402 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.37 13.45 79.85 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 114.152 0.421 . . . . 36.67 114.152 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 5.2 3.17 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.732 0.641 . . . . 73.15 112.732 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.4 -38.94 75.11 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.817 0.341 . . . . 74.44 111.842 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.73 5.41 43.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.925 0.393 . . . . 75.03 111.574 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -103.64 147.05 27.68 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.629 -0.26 . . . . 72.25 110.837 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 95.9 p -70.22 151.13 45.7 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.018 0.437 . . . . 71.02 111.901 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 6' ' ' THR . 86.3 mt -52.58 -40.3 62.46 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.753 0.649 . . . . 73.15 112.753 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.715 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.9 tt0 -66.93 -43.07 84.23 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.833 0.308 . . . . 73.21 111.833 -177.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.22 -52.18 65.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.781 0.324 . . . . 74.24 111.124 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.74 -35.45 86.33 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 121.01 -0.614 . . . . 53.12 112.87 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.5 -56.92 15.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.818 0.342 . . . . 63.13 111.156 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -58.27 -36.11 72.79 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.621 0.248 . . . . 73.54 111.453 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.07 81.24 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.435 -0.348 . . . . 74.34 111.86 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -90.74 -0.23 57.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.824 0.305 . . . . 71.42 111.824 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.72 55.16 6.1 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 121.306 -0.473 . . . . 64.34 112.811 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 28' ' ' TYR . 92.1 mt -128.86 140.21 51.8 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.035 0.445 . . . . 72.42 111.796 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -71.97 103.3 3.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.975 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.47 -35.38 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 116.087 -0.506 . . . . 72.11 112.305 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.82 -36.87 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.697 0.284 . . . . 72.24 111.664 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.42 -32.45 64.42 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.017 0.437 . . . . 70.42 110.72 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.06 -55.14 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.348 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' ' 7' ' ' LYS . 81.9 mt -55.85 -35.58 66.6 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.131 0.491 . . . . 74.22 110.992 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 59' ' ' ARG . 2.1 ttp180 -51.42 -55.67 17.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.611 -0.722 . . . . 73.5 111.675 175.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.71 -33.19 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.954 0.406 . . . . 75.21 111.2 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD22 HG13 ' A' ' 21' ' ' VAL . 83.6 mt -62.43 -51.46 67.45 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 111.955 0.354 . . . . 74.2 111.955 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.071 -0.393 . . . . 63.2 111.117 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.92 71.79 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.695 0.283 . . . . 74.32 111.225 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.84 -35.03 72.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.274 0.559 . . . . 75.24 111.183 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.49 -33.76 47.94 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.999 -0.546 . . . . 75.55 111.431 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.9 mt -85.72 -15.26 42.8 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.157 -0.474 . . . . 65.14 112.095 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 59.91 -79.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.018 0.527 . . . . 75.31 112.045 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.3 p80 47.69 114.92 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.299 1.222 . . . . 73.53 114.299 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -150.19 149.41 30.17 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.926 -0.483 . . . . 64.33 110.652 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -66.66 147.53 53.14 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.994 0.426 . . . . 72.24 111.972 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -64.25 144.82 56.86 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.081 -0.509 . . . . 74.21 111.924 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -136.31 132.85 36.23 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.867 0.365 . . . . 74.52 110.86 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.815 -0.612 . . . . 74.15 111.514 179.263 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.649 0.261 . . . . 75.43 111.051 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.6 m -65.81 115.36 5.86 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.349 -0.387 . . . . 61.13 111.62 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -119.0 144.2 46.65 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.993 0.425 . . . . 73.22 111.344 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 6.3 mmpt? -80.86 -34.45 33.72 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.815 0.341 . . . . 62.41 111.693 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.652 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.7 m-85 -117.85 124.72 49.03 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.049 0.452 . . . . 54.24 111.899 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.589 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -125.09 161.94 25.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.93 -0.577 . . . . 70.42 111.517 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.619 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.1 ptpt -64.49 -28.25 69.53 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.29 0.478 . . . . 63.35 112.29 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.39 4.17 54.41 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.702 0.63 . . . . 63.15 112.702 -171.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.652 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 25.7 ptm -94.18 153.33 18.14 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.891 -0.506 . . . . 63.22 110.721 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.503 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.4 p -76.48 152.33 36.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.24 0.459 . . . . 74.21 112.24 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -54.68 -37.71 66.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.23 -0.441 . . . . 70.45 111.434 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -51.23 70.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.438 -0.346 . . . . 65.34 111.51 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.503 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.7 mt-30 -57.33 -42.97 82.93 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.465 -0.334 . . . . 74.31 111.337 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.24 -50.06 74.07 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.013 0.435 . . . . 72.03 111.178 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.56 -40.37 91.38 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.559 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -68.68 -16.79 63.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.985 0.365 . . . . 71.25 111.985 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.4 m -82.71 -52.95 6.29 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.694 0.283 . . . . 74.21 111.325 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -145.28 128.83 8.53 Favored Pre-proline 0 N--CA 1.476 0.857 0 O-C-N 122.343 -0.223 . . . . 74.24 111.156 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.83 -35.2 87.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.826 2.35 . . . . 74.2 113.511 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -19.13 31.55 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 113.987 0.355 . . . . 63.43 113.987 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.53 -32.25 45.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 116.837 0.318 . . . . 62.23 111.12 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.23 82.39 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.916 0.389 . . . . 64.31 111.281 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.13 98.03 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.21 -0.519 . . . . 63.31 112.96 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 64' ' ' LEU . 62.1 t -62.77 -50.69 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.812 0.339 . . . . 74.04 111.194 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.89 -46.96 81.55 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.721 0.296 . . . . 70.33 111.118 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -63.92 -31.54 72.76 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 122.263 -0.273 . . . . 74.31 111.276 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 47.6 t -61.3 -30.65 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.999 0.428 . . . . 63.01 110.991 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -97.62 18.17 16.15 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.62 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.43 28.7 18.14 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.279 0.562 . . . . 74.43 111.769 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' O ' HG21 ' A' ' 33' ' ' ILE . 73.2 mt -97.26 6.99 47.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 122.55 0.34 . . . . 64.5 111.446 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.95 -27.43 62.15 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.173 -0.537 . . . . 52.54 114.256 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -73.89 3.58 6.5 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.902 0.705 . . . . 62.15 112.902 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.522 HG21 ' O ' ' A' ' 30' ' ' LEU . 18.6 pt -52.21 -36.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 122.14 -0.35 . . . . 70.02 111.862 176.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.23 74.75 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.135 -0.555 . . . . 43.45 112.953 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -82.12 -40.96 21.14 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.91 0.386 . . . . 64.41 111.617 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -88.24 9.34 23.36 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.195 0.443 . . . . 74.11 112.195 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.42 24.51 67.67 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.366 -0.445 . . . . 63.42 113.872 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.34 7.32 6.67 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.31 -0.524 . . . . 71.12 111.869 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -57.89 -39.23 77.39 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.056 0.455 . . . . 75.33 111.357 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -91.5 12.57 20.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.041 -0.527 . . . . 74.22 111.568 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' THR . 34.3 tt0 -107.28 152.15 24.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.52 -0.309 . . . . 75.43 111.104 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 m -71.85 149.92 44.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.936 0.398 . . . . 53.45 112.012 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -54.42 -43.48 71.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.039 -0.528 . . . . 71.33 112.328 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 46.4 tt0 -60.68 -43.62 97.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.862 0.363 . . . . 73.32 111.899 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.31 -50.94 69.66 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.346 -0.388 . . . . 73.11 111.3 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.59 -36.77 90.75 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.025 -0.607 . . . . 54.55 112.787 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.88 29.47 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.735 0.302 . . . . 75.32 111.066 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -60.51 -31.7 70.75 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.74 -0.209 . . . . 71.33 111.406 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -27.96 68.56 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.937 0.399 . . . . 72.12 111.886 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -106.11 8.97 32.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 111.901 0.334 . . . . 64.43 111.901 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 44.86 88.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.234 -0.508 . . . . 51.45 113.181 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.1 mt -123.32 164.75 18.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.911 0.386 . . . . 74.52 111.578 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -98.16 112.7 24.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.251 -0.431 . . . . 72.45 110.931 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 10.6 p -57.43 -33.92 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.963 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.3 -34.44 75.23 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.004 0.431 . . . . 73.52 111.621 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.525 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 39.0 t70 -72.33 -37.54 68.86 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.022 0.439 . . . . 70.45 110.922 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.57 -47.84 87.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.687 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.51 -34.37 64.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.984 -0.553 . . . . 74.42 111.437 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.1 ttp85 -51.35 -56.57 12.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.023 0.44 . . . . 54.4 111.594 174.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.72 -32.87 66.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.379 -0.373 . . . . 72.23 111.306 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.16 -52.23 60.02 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.364 0.505 . . . . 60.43 112.364 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.82 -27.72 67.78 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.096 -0.378 . . . . 74.23 111.167 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.7 69.69 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.82 0.343 . . . . 74.44 111.052 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD11 HG22 ' A' ' 24' ' ' VAL . 91.8 mt -62.08 -25.33 67.64 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.899 0.381 . . . . 62.35 111.536 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.8 -17.08 36.73 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.876 0.37 . . . . 51.01 111.629 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -93.56 -52.47 4.47 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.418 -0.355 . . . . 62.15 111.48 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 70.22 -50.99 0.65 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.681 0.792 . . . . 75.32 113.092 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -61.57 114.36 3.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.308 0.575 . . . . 74.14 111.126 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -77.2 124.71 28.21 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.764 -0.653 . . . . 72.1 111.774 -171.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -87.64 135.91 33.17 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.064 0.459 . . . . 72.13 111.031 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -69.72 110.6 4.99 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.646 0.61 . . . . 73.52 112.646 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -166.55 142.87 4.73 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.235 -0.439 . . . . 74.43 111.142 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.251 1.142 0 CA-C-N 116.366 -0.379 . . . . 62.43 111.845 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.519 0.2 . . . . 71.43 111.111 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -60.81 105.32 0.44 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.113 0.482 . . . . 61.21 111.745 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -91.5 177.97 6.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.209 0.528 . . . . 71.1 111.664 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -16.22 10.65 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.08 0.467 . . . . 75.03 111.447 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.493 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 -131.2 127.77 38.6 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.872 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.606 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.1 t -135.76 154.17 51.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.2 -0.455 . . . . 54.32 111.366 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.709 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.2 ptpt -60.83 -19.23 59.43 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.911 0.386 . . . . 74.31 111.822 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.37 -36.92 71.62 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.89 -0.595 . . . . 65.25 112.236 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.606 ' HG2' ' O ' ' A' ' 6' ' ' THR . 18.5 ptm -70.9 155.36 40.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.175 0.512 . . . . 72.41 111.536 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.45 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 71.5 p -83.46 159.18 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 74.45 111.908 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -54.59 -40.86 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.266 -0.425 . . . . 74.04 111.372 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.08 84.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.468 -0.333 . . . . 61.55 111.473 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.45 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.9 mt-30 -61.16 -45.17 95.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.617 -0.265 . . . . 74.54 111.499 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.81 71.79 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.811 0.339 . . . . 75.32 111.486 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -56.58 -35.99 68.84 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.247 -0.433 . . . . 37.72 111.723 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -80.05 -24.93 40.36 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.459 0.541 . . . . 55.52 112.459 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.6 m -71.21 -45.79 62.59 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.051 0.453 . . . . 65.13 110.594 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -147.42 118.57 4.55 Favored Pre-proline 0 N--CA 1.474 0.739 0 CA-C-N 116.379 -0.373 . . . . 64.2 111.031 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.22 -23.65 37.92 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.797 2.331 . . . . 74.53 113.49 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.41 -20.58 61.29 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 121.397 -0.43 . . . . 74.02 113.063 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.04 -30.67 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.294 0.238 . . . . 71.53 111.383 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.508 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -53.44 -49.12 68.03 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.921 0.391 . . . . 64.41 111.413 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.17 96.41 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.109 -0.567 . . . . 75.54 112.594 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG22 HD11 ' A' ' 64' ' ' LEU . 46.6 t -59.16 -49.66 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.992 0.425 . . . . 75.4 111.501 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.46 -51.77 67.18 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.268 -0.424 . . . . 74.12 111.222 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 48.5 mtp180 -58.92 -37.38 76.52 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.011 0.434 . . . . 71.14 110.733 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 t -61.8 -30.17 70.64 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.003 -0.544 . . . . 62.45 111.812 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -106.05 29.75 6.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.195 0.442 . . . . 74.3 112.195 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 67.41 6.8 5.12 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.692 0.627 . . . . 71.25 112.692 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.2 mt -91.79 11.63 24.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.719 -0.613 . . . . 44.13 111.815 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.93 -14.53 70.69 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.963 -0.637 . . . . 41.44 113.408 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.7 m -93.59 11.24 29.47 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.354 0.502 . . . . 73.15 112.354 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.61 -35.4 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.374 0.509 . . . . 74.43 112.374 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.82 -24.09 74.2 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.024 -0.607 . . . . 53.52 113.152 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.1 m -85.92 -49.9 7.5 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.813 0.34 . . . . 72.42 111.282 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.46 -21.43 62.79 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.994 0.368 . . . . 65.13 111.994 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.79 65.86 1.28 Allowed Glycine 0 CA--C 1.525 0.704 0 C-N-CA 121.123 -0.56 . . . . 54.33 112.76 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.05 10.5 6.95 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.239 0.829 . . . . 52.32 113.239 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -58.6 -41.27 85.43 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.812 -0.555 . . . . 73.33 111.768 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -93.0 13.09 21.77 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.255 -0.43 . . . . 74.05 111.305 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -106.99 150.33 26.6 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.423 -0.353 . . . . 74.21 110.927 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 50.5 m -73.52 150.63 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.224 0.453 . . . . 70.34 112.224 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.02 -49.0 61.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.78 0.659 . . . . 65.14 112.78 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 34.2 tt0 -59.69 -40.99 89.69 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.975 0.361 . . . . 75.44 111.975 -178.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -60.84 -57.05 14.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.649 0.261 . . . . 64.23 111.279 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.87 -37.31 84.07 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.162 -0.542 . . . . 65.11 112.949 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.96 73.72 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.92 0.391 . . . . 63.13 111.133 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -60.24 -38.16 82.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.442 -0.344 . . . . 65.13 111.327 177.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.99 82.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.099 0.476 . . . . 43.31 111.56 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -91.37 6.49 45.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.45 -0.341 . . . . 73.2 111.854 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.91 53.19 39.11 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.546 -0.359 . . . . 63.22 113.12 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.1 mt -123.56 151.52 42.81 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.257 0.465 . . . . 55.35 112.257 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -82.45 101.5 10.71 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.351 173.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 p -57.83 -31.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.075 0.398 . . . . 55.13 112.075 -177.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.91 -47.97 81.25 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.013 0.435 . . . . 62.3 111.73 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -66.07 -30.26 70.74 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.313 0.577 . . . . 75.44 110.825 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.62 -48.59 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.904 -0.589 . . . . 74.14 110.815 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 99.0 mt -55.39 -36.95 66.96 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.72 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.72 -56.36 16.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.227 0.537 . . . . 74.12 111.125 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.33 -33.27 74.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.846 -0.615 . . . . 71.14 111.113 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.69 -52.17 61.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.389 -0.369 . . . . 74.33 111.738 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -64.9 -30.46 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.795 0.331 . . . . 72.31 111.337 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.93 67.46 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.836 0.351 . . . . 74.42 111.772 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 24' ' ' VAL . 85.4 mt -69.9 -30.28 67.66 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.083 0.468 . . . . 73.44 111.468 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.79 -36.49 23.52 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.146 -0.479 . . . . 65.25 111.606 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 68' ' ' HIS . 94.5 mt -77.07 -47.48 20.45 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.738 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 65.14 -13.06 0.12 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.128 0.788 . . . . 72.53 113.128 -178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' H ' ' C ' ' A' ' 66' ' ' LEU . 94.7 m-70 -57.8 146.88 30.0 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.169 0.509 . . . . 73.55 112.364 -174.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -52.59 121.61 7.43 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.667 -0.697 . . . . 73.22 111.327 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.23 161.51 30.18 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.7 -0.227 . . . . 72.13 110.801 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 60.13 26.54 15.94 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 121.547 0.689 . . . . 73.24 110.981 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -135.71 136.11 40.58 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.199 -0.455 . . . . 73.5 111.39 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 118.617 -0.706 . . . . 73.54 111.303 177.388 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.961 0.41 . . . . 73.22 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -110.38 104.65 13.45 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.524 -0.307 . . . . 73.01 111.231 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -71.91 111.09 6.86 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.797 0.332 . . . . 73.2 110.87 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -58.95 -38.42 79.0 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.864 0.364 . . . . 64.24 111.163 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 87.0 m-85 -95.56 105.14 17.08 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.156 -0.475 . . . . 74.43 109.749 171.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -128.59 165.66 20.36 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.082 0.468 . . . . 75.31 112.175 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -61.33 -24.05 66.17 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.264 -0.426 . . . . 71.31 111.894 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.46 -44.15 91.99 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.684 0.624 . . . . 74.34 112.684 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.3 ptm -71.37 151.67 43.88 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.224 0.535 . . . . 70.43 112.18 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 58.0 p -78.6 158.83 28.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.099 -0.5 . . . . 75.32 112.17 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.476 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 90.5 m-85 -54.09 -46.84 72.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.2 -0.454 . . . . 74.32 111.616 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.76 82.02 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 72.2 111.988 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.77 -40.23 94.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.498 -0.319 . . . . 72.4 111.555 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.76 85.82 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.954 0.407 . . . . 71.4 111.078 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 86.4 mt -59.17 -41.35 88.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.116 -0.493 . . . . 73.11 111.397 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -69.43 -27.82 65.6 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.821 0.343 . . . . 74.13 111.815 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.6 m -72.42 -42.42 65.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.901 0.382 . . . . 63.45 110.922 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -149.53 112.28 3.44 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.319 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.19 -30.39 25.56 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.666 2.244 . . . . 64.24 113.167 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -26.99 66.73 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.532 -0.366 . . . . 40.1 113.217 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG13 HD22 ' A' ' 61' ' ' LEU . 69.3 t -55.72 -36.05 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.813 0.339 . . . . 70.35 111.259 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -54.87 -48.8 72.49 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.483 -0.326 . . . . 64.53 111.395 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.06 98.34 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 121.242 -0.504 . . . . 75.52 112.968 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.86 -52.44 60.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.959 0.409 . . . . 73.52 111.127 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.02 -50.07 74.68 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.356 -0.384 . . . . 61.21 111.488 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 19.9 mtp180 -60.78 -37.2 81.09 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.901 0.381 . . . . 73.04 111.225 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -62.8 -37.75 87.96 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.9 0.381 . . . . 74.44 111.01 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -88.96 30.1 0.97 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.309 0.485 . . . . 63.45 112.309 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 66.04 16.15 10.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.223 0.453 . . . . 75.42 112.223 173.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 33' ' ' ILE . 88.2 mt -100.47 18.16 19.76 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.808 -0.558 . . . . 75.4 111.932 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.27 72.16 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 121.258 -0.496 . . . . 72.41 113.92 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.14 -9.96 58.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.906 0.706 . . . . 74.13 112.906 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 30' ' ' LEU . 32.7 pt -51.27 -31.52 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.666 0.617 . . . . 73.33 112.666 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.47 67.6 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 121.233 -0.508 . . . . 71.21 113.09 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.13 -48.47 8.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.555 -0.38 . . . . 75.43 111.787 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 ptm -75.8 13.97 0.74 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 112.921 0.712 . . . . 63.13 112.921 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.53 5.67 64.21 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 121.219 -0.515 . . . . 54.42 114.053 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.47 -4.45 11.39 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 117.157 0.479 . . . . 72.22 112.265 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.43 -36.96 62.1 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.988 0.423 . . . . 73.14 111.065 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -92.65 13.94 18.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.973 -0.558 . . . . 62.01 111.647 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -115.1 151.01 35.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.825 0.345 . . . . 74.51 111.429 -176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.537 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 71.2 m -72.49 152.33 41.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.079 0.466 . . . . 60.11 112.052 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 6' ' ' THR . 85.8 mt -52.57 -48.23 66.34 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.464 0.913 . . . . 74.21 113.464 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.5 tt0 -68.17 -40.4 82.31 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.127 0.417 . . . . 75.52 112.127 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -55.31 -50.43 69.6 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.057 0.456 . . . . 73.2 110.81 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.46 91.39 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.195 -0.526 . . . . 72.42 112.814 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 122.579 -0.365 . . . . 63.05 111.079 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -58.34 -36.84 74.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.765 0.317 . . . . 74.12 111.522 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.06 70.6 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.978 0.418 . . . . 62.43 111.689 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -106.28 8.82 32.04 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.003 0.372 . . . . 62.4 112.003 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.11 40.36 99.1 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 121.63 -0.319 . . . . 72.04 113.818 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.8 163.44 15.85 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.2 0.524 . . . . 72.04 111.729 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -94.05 113.42 25.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.957 -0.565 . . . . 44.43 110.428 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.7 p -57.53 -33.9 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 116.491 -0.322 . . . . 60.1 111.839 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.4 -31.82 72.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.246 0.461 . . . . 64.42 112.246 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -70.88 -35.45 72.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.262 0.553 . . . . 74.21 109.895 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.406 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 55.8 mt -69.84 -49.93 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.989 -0.55 . . . . 72.24 110.95 175.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 85.8 mt -54.67 -33.34 60.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.323 -0.399 . . . . 73.04 111.275 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.9 ttp-105 -50.98 -53.82 29.78 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.995 -0.548 . . . . 73.04 110.734 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -39.3 66.78 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.819 -0.628 . . . . 70.35 111.156 -177.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 58' ' ' LEU . 76.7 mt -57.49 -51.09 70.87 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.417 -0.356 . . . . 72.2 111.824 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.13 -28.42 65.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.997 0.427 . . . . 74.41 110.683 176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 -16.64 63.97 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.511 -0.313 . . . . 73.23 111.83 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.48 -29.51 67.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.203 0.525 . . . . 74.21 110.722 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.09 -33.61 14.7 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.05 -0.523 . . . . 54.43 111.903 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.65 -45.13 8.22 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.118 0.485 . . . . 64.0 111.564 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 69' ' ' HIS . 34.8 mt-10 59.43 -95.33 0.05 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.433 -0.803 . . . . 75.02 112.515 -174.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 64.94 -37.42 0.22 Allowed 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.11 0.781 . . . . 74.04 113.11 -173.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.444 ' H ' ' C ' ' A' ' 67' ' ' GLU . 32.2 m80 -61.98 93.19 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.054 0.454 . . . . 71.54 111.765 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -70.89 88.18 0.74 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.494 0.664 . . . . 74.34 112.031 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -146.67 178.02 8.63 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.661 -0.7 . . . . 75.04 110.609 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -126.7 134.05 50.78 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.829 0.347 . . . . 74.21 111.214 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 29.1 p80 . . . . . 0 C--O 1.251 1.182 0 N-CA-C 112.593 0.59 . . . . 72.42 112.593 -179.218 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 120.851 0.358 . . . . 72.2 111.404 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 t -116.47 110.2 18.31 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.323 0.582 . . . . 74.5 111.299 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.407 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 24.8 mt-30 -89.77 164.89 14.47 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.087 0.47 . . . . 70.21 111.594 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -83.27 -47.04 11.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.24 -0.437 . . . . 71.33 111.007 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.5 m-85 -98.69 122.61 42.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.269 -0.423 . . . . 75.44 111.262 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.0 t -112.21 170.65 8.02 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.266 0.555 . . . . 63.42 111.976 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.727 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.7 ptpt -83.37 -11.67 57.37 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.829 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.54 -25.66 19.13 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.039 0.385 . . . . 74.14 112.039 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.2 ptm -69.97 150.3 46.84 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.873 0.368 . . . . 71.32 111.455 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.6 p -77.88 159.22 29.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.884 0.373 . . . . 71.52 111.908 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -55.9 -40.26 72.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.301 -0.408 . . . . 72.15 110.979 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.68 -47.97 72.99 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.101 -0.499 . . . . 62.01 111.743 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.6 mt-30 -57.78 -54.1 50.66 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.986 0.422 . . . . 65.53 111.153 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.24 71.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.108 -0.496 . . . . 71.44 112.024 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.5 HD23 HD12 ' A' ' 25' ' ' LEU . 95.2 mt -59.54 -30.98 68.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.25 0.463 . . . . 72.25 112.25 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -87.74 -20.27 26.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 111.929 0.344 . . . . 72.44 111.929 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.405 HG21 ' HD2' ' A' ' 18' ' ' HIS . 41.5 m -72.13 -59.21 2.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.142 0.496 . . . . 73.54 110.831 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.405 ' HD2' HG21 ' A' ' 17' ' ' THR . 7.3 m-70 -130.23 123.77 20.87 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 122.235 -0.29 . . . . 74.24 110.78 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.7 -30.6 56.96 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.95 2.433 . . . . 61.22 113.282 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.4 -24.1 67.24 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 121.597 -0.335 . . . . 42.32 113.818 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.21 -36.15 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.834 0.317 . . . . 73.24 111.655 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -57.92 -46.81 84.44 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.871 0.367 . . . . 42.44 111.216 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.04 96.79 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.163 -0.542 . . . . 64.15 112.468 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.41 -52.96 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-O 121.06 0.457 . . . . 72.53 111.407 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.5 HD12 HD23 ' A' ' 15' ' ' LEU . 86.0 mt -56.65 -45.0 81.89 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.797 0.295 . . . . 72.31 111.797 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 42.5 mtp180 -63.15 -31.05 72.09 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.799 0.333 . . . . 64.21 111.267 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -69.61 -42.59 74.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.869 0.366 . . . . 63.41 111.486 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -82.8 0.7 42.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.148 0.425 . . . . 74.54 112.148 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.1 t30 69.96 61.67 0.25 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.669 0.747 . . . . 54.34 111.57 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' HG21 ' A' ' 33' ' ' ILE . 81.5 mt -132.02 5.98 4.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.278 -0.874 . . . . 72.24 110.964 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.33 -17.63 62.03 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.224 -0.512 . . . . 53.14 113.299 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 36' ' ' MET . 58.1 m -66.14 -9.94 36.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.33 0.492 . . . . 72.34 112.33 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 30' ' ' LEU . 16.7 pt -51.69 -45.08 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.798 0.666 . . . . 63.33 112.798 -178.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -46.95 93.35 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.623 -0.798 . . . . 62.11 112.708 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.12 -42.79 99.58 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.074 0.398 . . . . 72.13 112.074 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.8 ptm -87.09 1.37 53.17 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.249 0.462 . . . . 73.12 112.249 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.51 28.89 72.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 121.284 -0.484 . . . . 37.27 113.578 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.17 15.49 5.14 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.547 0.573 . . . . 71.23 112.547 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -59.04 -35.62 73.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.228 0.537 . . . . 73.21 111.522 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -79.87 -5.56 55.74 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.823 -0.626 . . . . 73.42 111.997 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -91.56 148.9 21.95 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.36 -0.382 . . . . 62.04 111.072 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.56 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.3 p -78.06 155.14 30.78 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.038 0.447 . . . . 73.32 112.056 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 6' ' ' THR . 86.6 mt -53.06 -44.11 67.2 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.285 0.476 . . . . 70.34 112.285 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.727 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 36.4 tt0 -69.11 -49.51 56.47 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.174 0.435 . . . . 75.42 112.174 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.7 -39.29 90.97 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.911 0.386 . . . . 75.3 110.77 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.0 -42.98 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.974 -0.632 . . . . 37.27 112.954 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.65 -58.29 8.11 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.62 -0.341 . . . . 63.23 111.084 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -61.32 -34.55 75.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.526 -0.306 . . . . 62.21 111.786 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.94 64.02 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.809 0.338 . . . . 52.32 111.639 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -105.41 -7.44 18.77 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.714 0.293 . . . . 72.11 111.69 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.76 37.28 6.14 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 121.432 -0.413 . . . . 44.45 113.84 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.6 mt -123.73 151.22 43.46 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.416 -0.461 . . . . 74.11 111.532 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -88.9 118.73 28.82 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.917 0.389 . . . . 74.32 110.966 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 13.8 p -61.42 -32.85 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.333 0.494 . . . . 70.45 112.333 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.9 -47.62 74.09 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.096 0.474 . . . . 72.15 111.462 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.814 -0.63 . . . . 65.54 111.23 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.57 -47.32 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.962 -0.563 . . . . 71.43 111.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.7 mt -55.52 -34.15 64.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.777 0.322 . . . . 73.44 111.828 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -56.78 -49.97 73.71 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.39 -0.368 . . . . 72.42 111.318 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.96 -34.04 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.986 0.422 . . . . 64.23 111.207 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.05 -52.09 64.19 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.09 0.404 . . . . 75.34 112.09 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.407 ' OD1' ' HB3' ' A' ' 3' ' ' GLN . 53.0 m-80 -67.25 -25.64 66.17 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 111.756 0.28 . . . . 72.2 111.756 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.85 -30.17 67.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.872 0.368 . . . . 72.42 111.094 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.71 -16.64 64.24 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.119 -0.491 . . . . 73.42 111.701 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -99.63 -31.35 11.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.911 0.386 . . . . 64.15 111.46 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.59 -52.76 41.77 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.343 -0.389 . . . . 72.13 111.474 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 54.9 24.26 5.67 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.436 0.902 . . . . 72.32 113.436 176.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -79.7 49.02 0.99 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.682 0.623 . . . . 72.52 112.682 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.6 m80 63.18 128.23 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.705 1.002 . . . . 70.21 113.705 174.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -64.5 145.82 55.53 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 115.535 -0.757 . . . . 75.13 111.954 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -112.82 171.35 7.58 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.499 -0.319 . . . . 74.43 110.863 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -154.04 164.86 37.77 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.984 0.421 . . . . 72.31 111.939 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.6 p80 . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.754 -0.641 . . . . 75.03 111.307 173.544 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.053 0.454 . . . . 70.21 111.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -135.98 155.42 50.28 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.292 -0.413 . . . . 71.11 111.083 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.4 142.42 46.73 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.643 -0.253 . . . . 72.13 111.076 -178.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -73.28 -28.09 61.92 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.001 0.429 . . . . 70.42 110.634 172.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.639 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 70.8 m-85 -110.53 106.24 15.46 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.113 -0.494 . . . . 72.31 110.21 175.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.607 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.6 t -123.1 161.5 24.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.214 -0.448 . . . . 71.5 111.94 -177.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.702 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -62.75 -24.85 67.9 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.988 0.366 . . . . 44.31 111.988 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -81.21 -24.88 37.15 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.823 0.675 . . . . 71.0 112.823 -173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.639 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.9 ptm -78.12 152.33 32.88 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.037 -0.414 . . . . 75.54 111.524 -176.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.2 p -74.96 156.26 36.5 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.163 0.506 . . . . 73.33 112.302 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -56.15 -41.11 74.89 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.27 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.81 81.1 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.157 -0.474 . . . . 53.31 111.585 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.81 -43.26 98.4 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.901 0.381 . . . . 72.15 111.333 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 21' ' ' VAL . . . -57.27 -49.27 76.6 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.369 -0.378 . . . . 73.14 111.524 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.921 0.341 . . . . 72.35 111.921 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -72.7 -35.23 67.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.143 0.497 . . . . 72.43 111.516 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.4 m -68.52 -42.21 78.83 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.319 -0.4 . . . . 70.22 111.868 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -154.2 122.56 3.02 Favored Pre-proline 0 N--CA 1.473 0.69 0 CA-C-O 120.702 0.287 . . . . 74.42 111.754 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.78 -33.59 88.46 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.8 2.333 . . . . 64.44 112.906 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.63 -21.23 34.7 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.427 -0.416 . . . . 71.03 113.513 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 14' ' ' ALA . 89.8 t -60.85 -35.05 61.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 120.703 0.287 . . . . 62.21 111.096 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.59 79.62 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.499 -0.318 . . . . 71.52 111.343 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.8 -42.03 99.7 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.148 -0.548 . . . . 44.31 112.733 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.27 -53.13 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.937 0.399 . . . . 51.5 111.078 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.08 -50.84 71.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.584 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -56.95 -44.92 83.06 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 111.752 0.279 . . . . 64.32 111.752 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -59.28 -34.28 72.08 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.113 0.483 . . . . 72.52 111.323 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' O ' HD11 ' A' ' 52' ' ' LEU . 7.2 m-85 -90.57 12.41 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.626 0.602 . . . . 72.34 112.626 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 69.95 22.49 5.81 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 121.61 0.719 . . . . 64.42 111.502 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' HG21 ' A' ' 33' ' ' ILE . 80.9 mt -101.21 -2.33 31.55 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.962 -0.462 . . . . 74.22 111.955 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.14 58.87 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.891 -0.671 . . . . 73.2 113.195 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.05 -1.31 14.24 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.651 0.611 . . . . 64.43 112.651 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.535 HG21 ' O ' ' A' ' 30' ' ' LEU . 14.2 pt -49.82 -38.45 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.167 0.432 . . . . 70.12 112.167 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.88 -47.41 83.21 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.019 -0.61 . . . . 72.02 112.523 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.64 -35.23 79.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.182 0.438 . . . . 71.14 112.182 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 ptm -88.8 -6.38 57.42 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.196 -0.315 . . . . 72.41 111.501 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.94 23.5 69.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.281 0.473 . . . . 55.15 114.281 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 24.07 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.451 0.537 . . . . 52.52 112.451 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.14 -43.73 98.18 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.258 0.466 . . . . 72.33 112.258 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -90.23 13.87 14.12 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.924 0.342 . . . . 52.23 111.924 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.82 145.94 29.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.881 0.372 . . . . 73.2 111.136 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 151.3 47.07 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.148 0.499 . . . . 55.54 112.233 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 6' ' ' THR . 90.0 mt -52.43 -45.55 66.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.063 0.764 . . . . 72.33 113.063 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.702 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.2 tt0 -63.5 -44.14 95.2 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.094 0.405 . . . . 71.31 112.094 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.23 -51.71 68.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.692 0.282 . . . . 74.44 111.229 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.82 93.83 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 121.154 -0.546 . . . . 71.1 112.88 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.88 52.47 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.726 0.298 . . . . 72.54 111.131 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -63.29 -33.84 76.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.577 0.227 . . . . 74.04 111.458 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.31 -28.51 68.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.008 0.432 . . . . 52.04 111.322 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -103.62 -1.35 28.33 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.454 -0.339 . . . . 75.5 111.835 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.79 57.38 4.15 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.654 -0.308 . . . . 70.24 113.801 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD11 ' O ' ' A' ' 28' ' ' TYR . 59.5 mt -131.72 165.65 23.26 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.571 -0.37 . . . . 64.02 111.683 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -94.46 112.13 23.9 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.732 -0.469 . . . . 72.24 109.732 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.1 p -59.02 -35.26 56.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 N-CA-C 111.904 0.335 . . . . 74.23 111.904 -178.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.41 -45.23 95.18 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.905 0.383 . . . . 74.04 111.579 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 15.7 t70 -62.48 -35.84 80.62 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.934 0.397 . . . . 61.31 110.8 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.0 mt -67.23 -51.12 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.068 -0.514 . . . . 73.31 110.857 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 89.2 mt -55.91 -32.97 64.24 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.052 -0.522 . . . . 73.31 111.274 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 7.0 ttp85 -51.44 -54.53 25.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.218 -0.446 . . . . 73.14 111.392 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -70.73 -43.08 69.65 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.27 -0.423 . . . . 75.51 110.917 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.443 HD22 HG23 ' A' ' 21' ' ' VAL . 81.0 mt -56.46 -51.33 68.85 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.174 0.435 . . . . 73.32 112.174 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -69.56 -26.76 64.64 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.997 0.427 . . . . 73.4 110.987 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.36 69.5 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.562 -0.29 . . . . 44.21 111.139 175.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.9 -28.54 69.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.994 0.426 . . . . 73.51 111.172 174.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.63 8.33 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.181 -0.463 . . . . 61.31 111.599 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.617 ' HB3' ' HD2' ' A' ' 68' ' ' HIS . 93.4 mt -71.17 -34.15 70.68 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.106 -0.497 . . . . 71.14 112.004 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 53.19 36.19 21.86 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.82 1.045 . . . . 64.23 113.82 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.617 ' HD2' ' HB3' ' A' ' 66' ' ' LEU . 55.3 m-70 -80.64 87.4 5.79 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.968 -0.457 . . . . 71.04 110.619 174.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -119.95 112.74 19.56 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.309 -0.405 . . . . 72.2 111.147 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -138.66 32.44 2.25 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.544 0.572 . . . . 74.25 112.544 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -138.38 129.31 26.87 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.126 -0.488 . . . . 73.51 110.821 171.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -73.81 98.76 3.03 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.385 -0.371 . . . . 62.34 111.089 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 . . . . . 0 C--O 1.256 1.429 0 CA-C-O 118.983 -0.532 . . . . 74.04 111.496 -178.786 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 tpp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.797 0.332 . . . . 64.22 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -123.63 121.0 34.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.084 0.468 . . . . 75.21 111.917 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.469 ' NE2' ' H ' ' A' ' 3' ' ' GLN . 1.5 mp0 -73.37 140.35 46.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.233 -0.44 . . . . 55.54 110.987 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.565 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 8.2 mmpt? -60.68 -31.19 70.44 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.788 0.292 . . . . 75.4 111.788 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.572 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.3 m-85 -131.85 124.36 29.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.17 0.51 . . . . 65.02 111.505 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.555 ' O ' ' HG2' ' A' ' 9' ' ' MET . 6.3 t -139.95 165.3 27.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.179 -0.464 . . . . 71.21 111.516 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.677 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -64.96 -24.69 67.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.367 -0.379 . . . . 70.24 111.848 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.64 -43.37 89.7 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.135 -0.484 . . . . 74.22 112.026 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.8 ptm -74.4 154.04 38.98 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.17 0.51 . . . . 75.31 111.645 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 37.3 p -82.83 162.63 21.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.092 0.472 . . . . 74.52 112.161 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -55.14 -43.34 74.08 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.147 -0.479 . . . . 71.31 111.514 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.82 79.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.869 0.366 . . . . 65.13 111.512 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.3 mt-30 -57.99 -46.77 84.69 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.311 -0.404 . . . . 72.2 111.119 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -49.61 76.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.826 0.346 . . . . 51.44 111.394 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.78 -35.58 78.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.168 -0.469 . . . . 65.41 111.841 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -76.22 -25.09 54.75 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.94 0.348 . . . . 75.41 111.94 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -73.05 -52.94 12.44 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.572 0.225 . . . . 75.51 110.94 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.6 m-70 -145.85 134.11 10.74 Favored Pre-proline 0 N--CA 1.474 0.738 0 CA-C-O 120.681 0.277 . . . . 74.32 111.286 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 38.3 Cg_exo -60.82 -34.22 91.74 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.959 2.44 . . . . 75.13 113.641 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.86 -22.77 35.34 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 114.096 0.399 . . . . 72.03 114.096 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 89.9 t -54.71 -37.4 39.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.865 0.364 . . . . 75.4 111.717 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.44 76.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.975 0.416 . . . . 52.44 111.617 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.78 94.47 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.274 -0.489 . . . . 62.4 112.413 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.49 -46.66 96.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 120.973 0.416 . . . . 73.0 111.313 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 91.5 mt -57.47 -53.08 62.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.308 -0.405 . . . . 75.11 110.945 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -57.37 -39.06 75.23 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.948 0.404 . . . . 72.43 111.359 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t -61.25 -30.52 70.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.594 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' O ' HD11 ' A' ' 52' ' ' LEU . 49.9 m-85 -107.52 36.13 2.83 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.734 0.642 . . . . 74.52 112.734 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 66.0 9.44 6.17 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 112.512 0.56 . . . . 62.32 112.512 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.3 mt -94.41 23.74 5.0 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.74 -0.6 . . . . 64.11 111.451 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.36 -5.16 87.59 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.783 -0.722 . . . . 73.25 112.96 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 44.4 t -100.66 15.03 29.53 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.937 0.398 . . . . 74.44 111.625 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -56.58 -35.55 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.336 0.495 . . . . 71.44 112.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.88 -33.83 85.25 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.054 -0.594 . . . . 74.4 113.18 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.666 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 52.2 t -77.54 -33.34 54.22 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.546 -0.385 . . . . 60.53 111.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.7 ptm -91.2 6.1 46.44 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.26 0.467 . . . . 72.12 112.26 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.63 26.86 71.23 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.177 -0.535 . . . . 60.15 113.531 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.11 2.11 13.82 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.902 0.704 . . . . 61.51 112.902 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -56.47 -45.48 80.88 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.927 -0.483 . . . . 61.2 111.313 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -91.97 18.17 8.27 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.277 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -113.83 144.0 43.73 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.249 -0.432 . . . . 74.52 111.147 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.518 ' HB2' HE21 ' A' ' 45' ' ' GLN . 68.4 m -69.73 149.82 47.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.872 0.368 . . . . 74.03 111.753 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 6' ' ' THR . 94.2 mt -52.91 -43.71 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.921 0.711 . . . . 73.02 112.921 -176.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.677 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.3 tt0 -63.88 -48.89 74.88 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.799 0.333 . . . . 75.41 111.666 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.518 HE21 ' HB2' ' A' ' 42' ' ' SER . 51.0 mt-30 -57.21 -40.07 76.71 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.772 0.32 . . . . 63.14 111.729 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.36 64.44 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.176 -0.535 . . . . 71.15 112.69 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.36 -55.12 37.4 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.924 0.393 . . . . 64.42 111.769 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -62.32 -31.6 72.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.722 0.296 . . . . 65.51 111.778 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.42 68.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.125 0.488 . . . . 43.02 111.23 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -105.91 16.29 25.35 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.185 -0.461 . . . . 64.11 111.364 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.38 39.72 96.58 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 116.457 -0.338 . . . . 36.32 113.806 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD11 ' O ' ' A' ' 28' ' ' TYR . 60.0 mt -106.62 168.44 9.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.419 0.628 . . . . 72.44 112.443 -176.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -102.1 102.29 12.75 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.489 -0.778 . . . . 61.14 110.406 174.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.0 p -56.32 -34.17 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 112.554 0.576 . . . . 63.43 112.554 -176.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -59.99 -37.96 81.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.813 0.34 . . . . 72.34 111.835 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 9.7 t70 -74.05 -41.34 61.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.886 0.374 . . . . 74.13 110.454 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.5 mt -55.73 -48.63 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 116.286 -0.416 . . . . 53.41 111.055 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 71.9 mt -58.94 -37.98 77.97 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.881 0.372 . . . . 74.44 111.074 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 13.2 ttp180 -55.89 -51.56 67.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.204 -0.453 . . . . 75.45 111.25 176.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.78 -32.85 68.07 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.186 -0.461 . . . . 40.3 111.364 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.3 -52.38 47.92 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.52 0.563 . . . . 53.42 112.52 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -65.67 -25.02 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.906 -0.496 . . . . 71.34 111.29 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.13 65.29 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.381 -0.372 . . . . 64.33 111.508 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.56 -30.77 71.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.878 0.37 . . . . 71.24 111.585 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.68 -47.59 9.02 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.951 0.405 . . . . 73.41 111.441 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.92 -40.11 69.01 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.076 0.399 . . . . 62.42 112.076 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 59.52 -80.88 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.063 0.545 . . . . 70.32 111.94 -174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.0 p80 40.4 111.89 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.481 1.112 . . . . 75.21 113.868 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -26.96 117.23 0.08 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.757 1.021 . . . . 63.42 113.757 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -81.25 37.21 0.44 Allowed 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.887 -0.597 . . . . 74.34 112.064 -170.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -88.29 95.33 10.14 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.977 -0.452 . . . . 63.45 111.292 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -112.78 107.69 16.41 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.469 -0.332 . . . . 74.44 110.756 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.518 -0.753 . . . . 61.2 111.701 178.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 mtm . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.814 0.34 . . . . 72.24 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 t -146.0 177.44 8.95 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.903 0.382 . . . . 73.12 111.212 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -136.18 127.74 28.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.64 -0.254 . . . . 64.02 110.693 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -66.47 -38.14 86.67 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.165 0.507 . . . . 75.35 110.155 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.768 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 94.0 m-85 -93.96 102.24 14.32 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.696 -0.684 . . . . 72.15 109.523 170.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.0 t -112.8 173.81 6.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.267 0.556 . . . . 72.21 112.217 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -71.53 -27.13 62.98 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.155 -0.475 . . . . 65.52 111.368 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.04 -33.54 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.652 -0.704 . . . . 71.23 112.396 -175.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.768 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.5 ptm -71.46 152.71 42.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.118 0.485 . . . . 73.35 111.652 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 69.6 p -86.36 162.07 18.38 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.326 0.491 . . . . 74.23 112.326 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -57.43 -40.59 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.241 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.76 77.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.818 0.342 . . . . 54.4 111.265 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.96 -47.18 83.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.377 -0.374 . . . . 72.21 111.299 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.37 66.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.776 0.322 . . . . 53.13 111.786 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.05 -39.97 75.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.087 0.403 . . . . 71.04 112.087 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -76.62 -33.7 58.36 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.576 0.584 . . . . 62.33 112.576 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -58.28 -51.25 70.58 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.816 0.341 . . . . 73.12 111.425 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.2 m-70 -141.39 135.05 14.67 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.554 -0.294 . . . . 72.12 111.623 178.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 31.4 Cg_exo -58.61 -45.73 28.07 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.905 2.403 . . . . 61.04 113.287 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.18 -14.75 27.0 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 114.475 0.55 . . . . 75.52 114.475 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -56.26 -36.1 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 117.156 0.478 . . . . 52.23 111.785 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.89 74.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.002 0.429 . . . . 73.42 111.349 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.03 -37.5 92.84 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 121.295 -0.479 . . . . 60.35 113.099 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG23 HD11 ' A' ' 64' ' ' LEU . 82.7 t -63.94 -55.2 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 120.927 0.394 . . . . 65.12 111.234 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.79 -48.03 70.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.901 0.382 . . . . 74.05 111.399 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -60.39 -37.91 82.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.903 0.382 . . . . 55.12 111.459 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -61.04 -33.8 73.86 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.911 0.386 . . . . 71.23 111.736 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -97.06 5.87 49.58 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.748 0.647 . . . . 72.43 112.748 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 75.08 54.54 0.07 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.742 0.782 . . . . 75.4 111.171 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' HG21 ' A' ' 33' ' ' ILE . 85.5 mt -130.3 14.46 5.6 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.713 -0.676 . . . . 73.4 110.839 172.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -16.24 76.56 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.001 -0.619 . . . . 55.04 112.858 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' MET . 64.0 m -72.6 -5.45 37.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.332 0.493 . . . . 74.45 112.332 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG21 ' O ' ' A' ' 30' ' ' LEU . 25.6 pt -54.71 -26.02 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 112.696 0.628 . . . . 74.41 112.696 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.8 -48.14 10.67 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.647 -0.787 . . . . 73.44 112.301 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.72 -42.83 81.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.097 0.406 . . . . 74.14 112.097 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 20.7 ptm -84.35 -5.42 59.27 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.01 0.374 . . . . 70.24 112.01 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 50.6 41.73 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.182 -0.532 . . . . 52.3 113.714 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.19 21.97 14.04 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.423 -0.457 . . . . 62.42 111.873 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -62.93 -47.1 84.68 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.052 0.39 . . . . 73.43 112.052 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -83.76 6.23 21.95 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.324 -0.398 . . . . 72.2 111.559 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -96.09 147.44 23.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.74 0.305 . . . . 72.43 111.231 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 53.1 m -71.37 149.67 45.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.839 0.352 . . . . 73.45 111.677 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.18 -43.91 64.39 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.115 -0.493 . . . . 70.44 112.267 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.669 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.7 tt0 -59.88 -46.6 88.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.029 0.443 . . . . 75.32 111.834 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -62.49 -41.27 98.7 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.231 -0.441 . . . . 63.4 111.333 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.26 -39.21 82.27 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.158 -0.544 . . . . 61.01 112.901 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -55.76 30.24 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.045 0.45 . . . . 53.2 111.223 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -60.23 -29.63 68.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.305 -0.407 . . . . 74.04 111.751 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.9 74.73 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.824 0.345 . . . . 73.44 111.865 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -104.56 11.26 34.49 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 111.706 0.261 . . . . 62.22 111.706 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.61 50.54 48.14 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.428 -0.415 . . . . 38.62 113.282 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.2 mt -124.46 143.64 50.53 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.847 0.356 . . . . 74.22 111.764 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -74.84 114.98 13.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.71 0.291 . . . . 74.44 110.441 173.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 p -56.43 -35.3 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.135 0.42 . . . . 62.41 112.135 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.59 -50.05 75.22 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.908 0.385 . . . . 64.13 111.84 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.35 -37.29 86.99 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.93 0.395 . . . . 75.35 111.281 -176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.44 HD13 HD11 ' A' ' 30' ' ' LEU . 60.6 mt -65.76 -53.05 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.964 0.411 . . . . 65.31 111.158 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 86.2 mt -55.39 -34.48 64.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.407 -0.36 . . . . 71.12 111.61 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -52.99 -55.59 22.39 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.286 -0.415 . . . . 73.11 111.633 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.81 -32.92 71.62 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.86 0.362 . . . . 63.35 111.362 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.43 -51.49 67.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.817 0.342 . . . . 71.13 111.713 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 45.8 m-80 -66.49 -27.99 68.22 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 122.079 -0.388 . . . . 73.52 111.298 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -25.37 67.67 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.715 0.293 . . . . 52.44 111.351 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD11 HG23 ' A' ' 24' ' ' VAL . 92.9 mt -68.01 -31.71 71.59 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.152 0.501 . . . . 63.23 110.979 173.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.42 35.67 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.042 -0.526 . . . . 53.45 111.666 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.4 mt -79.4 -30.73 42.54 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.438 -0.346 . . . . 74.02 111.486 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 63.35 11.86 5.8 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.757 0.651 . . . . 74.2 112.757 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -98.67 115.62 29.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.085 0.469 . . . . 74.34 112.088 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -141.12 -40.24 0.4 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.081 -0.509 . . . . 70.1 110.939 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -112.49 -44.38 3.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.341 -0.391 . . . . 71.43 111.797 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -76.64 104.05 6.94 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.95 0.405 . . . . 53.22 110.551 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -95.4 145.23 25.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.444 0.64 . . . . 73.14 112.58 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.6 t60 . . . . . 0 C--O 1.252 1.233 0 CA-C-N 115.594 -0.73 . . . . 74.34 110.522 172.698 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.809 0.338 . . . . 75.15 111.272 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -129.3 176.59 7.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.681 -0.236 . . . . 75.02 110.848 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -133.49 158.79 42.23 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.246 0.546 . . . . 60.02 111.829 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HA ' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -98.88 -9.37 24.32 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.172 -0.467 . . . . 64.43 111.437 175.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.61 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.9 m-85 -134.35 115.74 14.41 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.875 0.369 . . . . 73.31 111.503 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -122.28 167.25 13.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.122 -0.49 . . . . 62.25 111.605 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.679 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -69.78 -25.04 63.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.909 0.385 . . . . 64.33 111.601 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -80.06 -31.88 39.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.91 -0.587 . . . . 74.23 112.341 -173.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.61 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 26.0 ptm -69.85 158.8 34.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.137 0.494 . . . . 71.31 112.084 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.456 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 22.2 p -84.22 156.65 21.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.179 -0.464 . . . . 72.33 112.131 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -55.0 -43.58 73.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.385 -0.37 . . . . 70.4 111.814 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -55.68 -51.22 67.99 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.775 0.321 . . . . 74.33 111.545 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.456 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.0 mt-30 -56.06 -46.2 79.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.319 -0.401 . . . . 53.44 111.349 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.97 -48.26 82.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.337 -0.392 . . . . 72.23 111.422 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 HD13 ' A' ' 25' ' ' LEU . 96.3 mt -59.72 -34.07 72.44 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.175 -0.466 . . . . 75.42 112.015 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 23.5 mm-40 -76.46 -37.57 56.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.835 0.35 . . . . 65.11 111.236 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -58.5 -51.52 69.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.23 -0.441 . . . . 71.02 111.717 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.89 142.59 18.03 Favored Pre-proline 0 N--CA 1.472 0.636 0 CA-C-O 120.773 0.32 . . . . 71.43 111.201 175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.66 -23.57 14.46 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.707 2.272 . . . . 72.54 113.249 -175.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -24.74 64.84 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.139 -0.553 . . . . 55.5 113.021 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 59.3 t -55.29 -39.94 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 120.749 0.309 . . . . 72.53 111.3 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.61 76.16 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.828 0.347 . . . . 71.23 111.395 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.87 -38.34 93.91 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.235 -0.507 . . . . 74.12 112.769 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.96 -51.17 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 122.57 -0.371 . . . . 70.15 111.407 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 15' ' ' LEU . 83.0 mt -56.8 -46.05 81.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.823 0.344 . . . . 71.44 111.394 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -61.41 -34.96 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.003 0.43 . . . . 73.3 111.234 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -69.54 -34.05 73.67 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.153 0.501 . . . . 74.33 111.477 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -95.92 31.88 2.01 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.259 -0.428 . . . . 74.31 111.855 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.84 -8.94 0.6 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.958 0.725 . . . . 72.53 112.958 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' HG22 ' A' ' 33' ' ' ILE . 89.4 mt -78.54 3.63 15.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.839 -0.538 . . . . 74.42 111.964 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.19 -11.86 34.88 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 121.27 -0.491 . . . . 65.24 113.779 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.0 m -90.06 8.93 30.14 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.491 0.552 . . . . 75.04 112.491 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 30' ' ' LEU . 18.0 pt -56.29 -33.73 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 112.196 0.443 . . . . 74.14 112.196 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.16 -48.62 73.17 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.911 -0.661 . . . . 61.33 112.882 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.32 -42.32 91.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.941 0.348 . . . . 64.0 111.941 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -83.51 -6.51 59.47 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.814 0.34 . . . . 71.04 111.717 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.54 25.82 75.12 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 121.606 -0.33 . . . . 74.34 113.813 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.74 54.17 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.267 0.556 . . . . 72.14 111.672 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -84.35 -42.93 15.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.263 -0.426 . . . . 72.13 111.124 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.64 -7.14 58.58 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.159 -0.473 . . . . 44.34 111.302 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.42 142.64 40.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.431 -0.35 . . . . 73.02 110.694 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 32.7 m -73.57 150.64 41.32 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.866 0.321 . . . . 63.05 111.866 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 6' ' ' THR . 82.9 mt -51.82 -43.74 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.359 0.503 . . . . 72.11 112.359 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.0 tt0 -62.4 -48.53 79.34 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.802 0.334 . . . . 74.13 111.515 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -55.04 -53.0 61.42 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.268 -0.424 . . . . 70.02 111.286 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.0 -38.28 96.35 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 121.204 -0.522 . . . . 42.52 113.263 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.47 -56.14 25.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.973 0.416 . . . . 74.53 111.326 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -63.04 -29.68 71.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.386 -0.37 . . . . 72.44 111.624 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.04 76.84 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.879 0.371 . . . . 61.11 111.599 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -98.01 6.88 47.14 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.298 0.481 . . . . 75.43 112.298 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 31.76 33.94 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.03 -0.605 . . . . 73.11 114.384 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.4 mt -127.6 166.23 18.43 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.479 -0.424 . . . . 74.33 110.928 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -101.57 132.67 47.09 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 73.24 110.453 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.539 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 12.4 p -61.87 -32.04 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.912 0.708 . . . . 75.54 112.912 -173.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.7 -46.33 88.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.597 0.591 . . . . 73.54 112.597 -174.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -56.77 -42.02 78.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.232 0.539 . . . . 73.31 110.907 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.12 -49.57 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.08 -0.509 . . . . 75.04 110.907 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' HG ' HG22 ' A' ' 54' ' ' VAL . 92.7 mt -56.38 -38.44 71.47 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.506 -0.315 . . . . 63.11 111.406 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.04 -48.01 71.0 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.846 0.355 . . . . 74.14 111.076 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.33 -38.02 68.74 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.776 0.322 . . . . 61.11 111.059 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.27 -51.84 66.09 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.972 0.415 . . . . 63.34 111.884 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -67.43 -26.22 66.31 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.796 0.332 . . . . 64.14 111.038 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.17 66.37 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.623 0.249 . . . . 72.31 111.205 174.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.04 -23.2 64.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.841 0.353 . . . . 63.22 111.364 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.97 -33.11 16.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.13 0.49 . . . . 64.41 110.91 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.33 -52.88 19.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.163 -0.471 . . . . 75.43 111.342 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 62.61 -6.17 0.17 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.802 1.038 . . . . 75.2 113.802 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -71.12 -43.25 68.01 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 122.017 -0.427 . . . . 72.13 111.443 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -83.62 99.89 10.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.292 0.568 . . . . 71.15 110.644 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -88.26 40.48 0.96 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.838 -0.619 . . . . 75.13 112.238 -170.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.2 m80 62.55 20.6 12.08 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.195 0.443 . . . . 72.52 112.195 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -68.64 -24.73 64.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.076 0.399 . . . . 62.34 112.076 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.255 1.368 0 C-N-CA 122.737 0.415 . . . . 74.22 111.338 -174.63 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.693 0.282 . . . . 73.53 111.334 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -93.33 151.73 19.59 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.783 0.325 . . . . 70.12 111.213 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -88.42 134.17 33.91 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.883 0.373 . . . . 72.13 111.889 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.53 -42.6 99.63 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.246 0.546 . . . . 54.02 110.287 171.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.537 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 84.8 m-85 -100.3 105.08 16.59 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.809 -0.632 . . . . 63.13 110.593 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.52 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.8 t -116.16 165.96 12.56 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.048 -0.524 . . . . 75.24 111.572 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.0 ptpt -74.16 -14.5 60.97 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.15 0.426 . . . . 74.24 112.15 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -83.42 -37.23 23.51 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.275 0.472 . . . . 62.14 112.275 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.537 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.2 ptm -63.34 152.19 38.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 120.883 0.373 . . . . 74.22 111.414 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.476 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 45.5 p -81.16 157.39 25.31 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.976 0.417 . . . . 61.13 111.913 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' HB3' HD13 ' A' ' 33' ' ' ILE . 97.9 m-85 -53.53 -43.43 68.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.579 178.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -49.62 73.78 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.383 -0.371 . . . . 63.13 111.714 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.6 mt-30 -56.02 -49.74 72.84 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.88 0.371 . . . . 74.34 110.997 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.79 -49.05 74.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.315 -0.402 . . . . 75.41 111.581 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HD13 ' A' ' 25' ' ' LEU . 96.7 mt -57.59 -36.16 71.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.099 0.407 . . . . 75.32 112.099 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.41 -19.33 42.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.955 0.407 . . . . 75.44 111.747 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.422 HG21 ' HD1' ' A' ' 18' ' ' HIS . 87.3 m -79.64 -41.1 27.67 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.781 0.324 . . . . 73.52 111.56 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.422 ' HD1' HG21 ' A' ' 17' ' ' THR . 7.3 m80 -149.25 129.12 6.54 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 122.389 0.276 . . . . 53.11 111.327 177.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.28 -36.9 97.24 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.88 2.387 . . . . 63.54 113.319 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -19.98 54.74 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.354 -0.45 . . . . 75.03 113.708 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.44 -34.91 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.828 0.347 . . . . 74.01 111.369 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.75 -46.9 83.85 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.882 0.373 . . . . 55.21 111.206 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.11 98.74 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.094 -0.574 . . . . 72.52 112.836 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.96 -54.27 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.31 111.323 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD13 HD23 ' A' ' 15' ' ' LEU . 91.0 mt -58.77 -42.11 88.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.36 . . . . 72.41 111.578 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -60.69 -44.66 96.27 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.847 0.356 . . . . 65.41 111.226 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -57.65 -42.58 83.74 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.031 0.444 . . . . 62.44 111.313 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.03 20.57 2.23 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.382 0.512 . . . . 71.4 112.382 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 70.01 -3.47 1.75 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 112.566 0.58 . . . . 75.45 112.566 175.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 33' ' ' ILE . 83.2 mt -77.65 -3.13 39.42 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.919 -0.488 . . . . 75.41 112.087 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.03 -17.82 17.52 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 121.357 -0.449 . . . . 62.14 113.577 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.8 m -68.69 -10.86 58.84 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 122.424 -0.457 . . . . 71.13 111.903 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 30' ' ' LEU . 31.6 pt -54.88 -37.19 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.677 0.275 . . . . 70.23 111.351 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.94 52.87 4.76 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.78 -0.528 . . . . 41.34 111.78 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.2 t -172.0 -43.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.88 0.472 . . . . 71.53 110.552 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.5 ptm -88.39 -0.38 57.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.113 0.412 . . . . 74.35 112.113 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 41.15 54.22 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 121.06 -0.591 . . . . 63.32 113.293 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.2 17.61 23.68 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 122.472 -0.428 . . . . 42.53 111.988 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -60.13 -37.99 81.71 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.524 0.565 . . . . 72.53 112.524 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -95.58 19.81 10.53 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.842 0.353 . . . . 74.25 111.921 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -105.6 146.06 30.16 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.713 0.292 . . . . 71.22 110.981 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 m -63.33 150.06 44.26 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.855 0.317 . . . . 74.43 111.855 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 6' ' ' THR . 81.8 mt -53.74 -49.26 68.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.165 0.432 . . . . 73.14 112.165 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 28.4 tt0 -65.24 -37.78 88.31 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.044 0.387 . . . . 61.24 112.044 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -60.46 -48.2 82.78 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.647 0.261 . . . . 70.15 111.123 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.83 -39.29 95.03 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 120.977 -0.63 . . . . 55.23 113.017 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -54.26 49.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.495 -0.415 . . . . 52.24 111.384 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.71 -33.47 66.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.428 -0.351 . . . . 71.21 111.906 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.44 78.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.025 0.44 . . . . 74.32 111.294 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -89.94 -9.4 48.96 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.825 0.345 . . . . 72.12 111.492 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.87 16.56 67.51 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 121.561 -0.352 . . . . 42.12 113.41 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.53 156.75 17.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.81 0.338 . . . . 63.41 111.651 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -86.14 115.37 23.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.998 0.428 . . . . 72.05 111.584 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.7 p -66.07 -29.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.082 0.468 . . . . 61.31 111.88 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.02 -34.55 78.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.916 0.388 . . . . 72.33 111.538 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.561 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 33.0 t70 -71.47 -34.19 69.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.065 0.46 . . . . 75.35 110.391 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.422 HD11 ' HA ' ' A' ' 54' ' ' VAL . 54.1 mt -64.72 -42.44 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-O 121.052 0.454 . . . . 74.23 110.608 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.454 HD22 HD11 ' A' ' 61' ' ' LEU . 90.7 mt -56.37 -35.19 67.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.203 -0.453 . . . . 63.02 111.149 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.561 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 51.4 ttp85 -51.75 -54.89 23.56 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.237 -0.438 . . . . 75.24 111.117 173.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 13.6 t0 -66.16 -46.3 77.92 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 120.933 0.397 . . . . 53.1 110.867 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.454 HD11 HD22 ' A' ' 58' ' ' LEU . 89.5 mt -53.98 -49.58 68.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.712 0.634 . . . . 62.33 112.712 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.71 -29.69 62.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.814 0.34 . . . . 74.42 111.063 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.66 -28.3 69.83 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.679 0.276 . . . . 63.52 111.394 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 91.9 mt -55.48 -37.87 68.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.81 0.338 . . . . 63.24 111.784 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.95 -41.46 10.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.385 -0.37 . . . . 72.33 111.681 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.85 -53.34 18.57 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.158 0.429 . . . . 63.13 112.158 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 55.08 28.72 11.27 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.565 0.58 . . . . 74.55 112.565 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -77.97 140.74 39.23 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.85 0.357 . . . . 72.2 110.971 175.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -72.86 113.35 9.8 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.551 -0.295 . . . . 74.04 110.733 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -64.6 86.17 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.054 0.454 . . . . 72.21 110.566 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -67.0 121.36 15.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.921 -0.581 . . . . 54.51 112.163 -174.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -90.83 148.29 22.61 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.026 0.441 . . . . 74.4 111.497 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.477 -0.773 . . . . 64.41 110.852 177.275 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 120.714 0.293 . . . . 73.11 111.368 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 t -129.06 145.59 51.23 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.973 0.415 . . . . 64.52 111.685 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -70.88 148.78 47.43 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.079 -0.509 . . . . 73.5 110.847 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -74.91 -42.22 58.19 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.134 0.492 . . . . 55.12 110.122 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.754 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 -85.58 99.34 11.2 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.0 -0.546 . . . . 63.14 109.748 173.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 9' ' ' MET . 10.2 t -118.74 171.24 8.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.179 0.514 . . . . 72.33 111.933 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.9 ptpt -69.84 -17.12 63.37 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.16 -0.473 . . . . 75.33 112.157 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.42 -35.18 27.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.346 0.499 . . . . 74.22 112.346 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.754 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -70.28 154.93 41.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.052 0.453 . . . . 74.05 111.674 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 32.4 p -83.8 160.65 21.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.948 -177.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -57.17 -38.76 74.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.297 -0.41 . . . . 71.02 111.052 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.04 71.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.648 0.261 . . . . 40.15 111.359 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.441 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.5 mt-30 -56.05 -47.72 77.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.9 0.381 . . . . 74.41 111.081 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.71 -50.12 73.12 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.212 -0.449 . . . . 63.5 111.668 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.46 -42.36 91.82 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.896 0.379 . . . . 75.33 111.645 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.95 -28.86 67.01 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.71 0.291 . . . . 63.31 111.738 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.637 HG21 ' HD1' ' A' ' 18' ' ' HIS . 87.6 m -74.61 -40.44 61.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.899 0.38 . . . . 75.13 111.583 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.637 ' HD1' HG21 ' A' ' 17' ' ' THR . 24.0 m80 -151.51 117.07 3.16 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 111.799 0.296 . . . . 73.33 111.799 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.2 -26.52 42.83 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.691 2.26 . . . . 72.04 112.967 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -26.34 67.35 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 121.416 -0.421 . . . . 65.41 113.317 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.8 t -55.12 -38.32 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.69 -0.3 . . . . 74.13 111.204 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.84 -47.71 73.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.909 0.385 . . . . 73.23 111.153 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.94 99.68 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 121.184 -0.531 . . . . 52.21 112.918 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.23 -47.9 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.769 0.319 . . . . 74.35 111.17 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 92.5 mt -59.04 -43.45 91.65 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.863 0.363 . . . . 75.01 111.096 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.68 -36.2 80.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.894 0.378 . . . . 71.33 111.043 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -66.66 -38.79 87.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.254 0.549 . . . . 65.22 110.888 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 39.2 m-85 -95.62 25.02 4.79 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.867 -0.606 . . . . 74.21 112.079 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 21.0 t-20 71.34 -15.92 0.39 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.253 0.834 . . . . 74.41 113.253 174.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' O ' HG21 ' A' ' 33' ' ' ILE . 94.7 mt -72.06 2.5 5.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.745 0.646 . . . . 75.23 112.745 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.35 -10.38 21.96 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.055 -0.593 . . . . 42.12 113.643 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 36' ' ' MET . 62.2 m -89.09 12.83 14.57 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.404 -0.468 . . . . 51.34 112.219 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG21 ' O ' ' A' ' 30' ' ' LEU . 17.9 pt -53.81 -30.11 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.526 . . . . 64.52 112.419 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.38 88.5 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.808 -0.711 . . . . 75.44 112.452 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -70.61 -38.01 73.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.042 0.386 . . . . 71.24 112.042 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 27.7 ptm -84.84 -3.95 58.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 111.786 0.291 . . . . 70.41 111.786 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.29 52.3 50.46 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.333 -0.461 . . . . 60.55 113.566 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.13 21.61 17.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.829 0.678 . . . . 75.51 112.829 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -61.34 -45.18 95.5 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.911 -0.493 . . . . 72.52 111.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -84.28 -5.79 59.31 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.089 0.471 . . . . 63.43 111.402 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -87.21 145.94 26.19 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.956 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 80.3 p -75.38 150.85 38.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.027 0.441 . . . . 65.24 111.887 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.25 -39.79 31.74 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.882 -0.599 . . . . 52.3 112.061 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -65.1 -48.78 72.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.241 0.46 . . . . 74.41 112.241 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.536 ' HG3' ' OG ' ' A' ' 42' ' ' SER . 72.9 mt-30 -58.1 -50.19 74.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.779 0.323 . . . . 74.3 111.144 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.33 97.31 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.089 -0.577 . . . . 73.21 112.951 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -57.98 10.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.887 0.375 . . . . 71.35 111.46 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -61.59 -34.94 76.48 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.735 0.272 . . . . 64.41 111.735 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.11 -34.59 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.944 0.402 . . . . 71.4 111.497 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -97.2 8.14 45.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 111.776 0.287 . . . . 72.42 111.776 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.84 42.67 60.46 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.54 -0.3 . . . . 71.41 113.83 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.2 mt -120.01 159.56 24.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.007 0.432 . . . . 75.35 111.832 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -89.63 112.6 23.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.297 -0.41 . . . . 64.11 110.7 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.5 p -59.2 -36.88 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 112.159 0.429 . . . . 71.44 112.159 -177.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.22 -38.63 89.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.828 0.346 . . . . 74.31 111.846 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 14.8 t70 -65.17 -35.04 79.83 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.146 0.498 . . . . 71.21 110.715 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -71.03 -51.56 34.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.8 -0.637 . . . . 74.44 111.078 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 83.9 mt -52.71 -36.01 56.68 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.199 0.524 . . . . 74.21 110.972 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 16.7 ttp180 -51.24 -53.09 38.6 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.496 -0.774 . . . . 75.42 111.723 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.95 -38.3 69.82 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.042 0.449 . . . . 74.44 110.865 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.03 -51.27 70.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.105 -0.498 . . . . 74.33 111.989 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 59.0 m-80 -69.55 -30.83 68.72 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.835 0.35 . . . . 75.24 111.101 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.443 ' HB2' ' HD2' ' A' ' 68' ' ' HIS . . . -58.07 -31.97 67.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.677 -0.238 . . . . 44.51 111.472 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.52 -34.86 69.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.172 0.51 . . . . 73.24 111.329 175.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.63 -35.55 24.53 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.16 -0.473 . . . . 55.14 111.882 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.9 mt -75.05 -28.59 60.45 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.289 -0.414 . . . . 74.04 111.973 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 54.63 80.79 0.12 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.207 0.527 . . . . 64.44 111.405 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.443 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 20.5 p80 -82.61 106.25 14.31 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.386 0.513 . . . . 72.24 112.386 -173.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -96.4 -24.51 16.1 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.829 0.347 . . . . 65.42 111.03 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -104.99 -177.13 3.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.78 0.324 . . . . 71.5 110.499 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -135.75 161.54 35.28 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.043 0.449 . . . . 72.14 111.654 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -98.55 99.69 10.86 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.283 -0.417 . . . . 71.4 110.38 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.915 -0.564 . . . . 62.02 112.23 -178.312 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 112.29 0.478 . . . . 74.42 112.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -63.38 156.02 27.15 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.941 0.4 . . . . 65.12 111.987 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -81.33 175.64 10.41 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.223 0.535 . . . . 65.52 112.333 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -89.85 -27.32 20.01 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.213 0.53 . . . . 64.02 110.337 172.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -126.85 117.45 22.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.685 -0.688 . . . . 73.43 110.228 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.3 t -122.08 159.76 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.943 0.402 . . . . 75.3 111.937 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.624 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.6 ptpt -60.05 -26.81 66.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.027 0.442 . . . . 64.33 111.389 177.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.8 -43.76 97.96 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.48 -0.782 . . . . 53.13 112.561 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.5 ptm -73.47 154.2 40.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.286 0.565 . . . . 62.3 111.962 -176.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 63.9 p -83.47 163.97 20.16 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.019 -0.537 . . . . 53.21 112.233 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -55.46 -41.86 73.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.082 -0.508 . . . . 74.21 111.183 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -57.68 -51.23 70.4 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.388 -0.369 . . . . 64.5 111.642 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.3 mt-30 -59.19 -43.77 92.21 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.883 0.373 . . . . 72.34 111.436 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.8 -50.62 72.65 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.926 0.393 . . . . 50.43 111.252 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.46 -37.31 77.85 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.083 -0.508 . . . . 74.01 111.911 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.4 mm-40 -77.2 -24.45 51.35 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.09 0.404 . . . . 75.23 112.09 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.2 m -78.23 -36.77 46.69 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.097 0.475 . . . . 72.33 110.685 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -152.61 109.12 2.74 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.964 175.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.5 -26.28 28.08 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.488 2.125 . . . . 75.51 112.96 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.86 -25.08 61.09 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.479 -0.391 . . . . 70.02 113.12 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.88 -31.77 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.789 0.328 . . . . 72.12 111.192 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.73 -50.76 69.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.767 0.318 . . . . 54.33 111.385 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.79 -35.32 91.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.085 -0.578 . . . . 62.21 112.868 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.82 -52.57 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.831 0.348 . . . . 73.44 111.114 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -55.59 -43.29 75.87 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.982 0.42 . . . . 75.51 110.89 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -59.44 -42.04 91.02 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.342 -0.39 . . . . 74.33 111.082 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.38 -36.05 77.16 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.266 -0.425 . . . . 70.42 111.354 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 73.0 m-85 -99.16 26.12 6.19 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.202 0.445 . . . . 75.42 112.202 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 63.48 12.72 6.6 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.616 0.599 . . . . 75.21 112.616 171.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' HG21 ' A' ' 33' ' ' ILE . 93.5 mt -88.0 2.71 51.1 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.762 -0.587 . . . . 73.34 111.852 177.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.39 -25.6 49.34 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 121.288 -0.482 . . . . 72.41 113.861 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.1 m -73.86 0.81 12.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.832 0.679 . . . . 74.04 112.832 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.514 HG21 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.02 -31.14 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 120.803 0.335 . . . . 73.15 111.7 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -50.73 56.57 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.965 -0.636 . . . . 72.41 112.348 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.73 -32.42 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.245 0.461 . . . . 74.31 112.245 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.8 ptm -94.75 1.09 55.44 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 111.914 0.339 . . . . 72.52 111.914 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.63 21.71 71.11 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.375 -0.441 . . . . 61.33 114.084 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 18.0 0.18 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.897 0.703 . . . . 75.05 112.897 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.9 -32.46 70.76 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.905 0.383 . . . . 72.22 111.534 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.48 8.39 38.95 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.259 -0.428 . . . . 73.14 111.832 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -104.46 143.24 33.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.957 0.408 . . . . 74.23 111.237 -178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.524 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 48.0 m -65.97 150.56 48.45 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.318 -0.401 . . . . 72.52 111.993 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -50.87 -49.01 60.09 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.051 0.76 . . . . 73.42 113.051 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.624 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 35.8 tt0 -61.34 -39.79 91.87 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.915 0.339 . . . . 73.03 111.915 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -62.93 -52.99 60.92 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.532 0.206 . . . . 62.25 111.412 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.12 95.07 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.202 -0.523 . . . . 43.24 112.771 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.27 78.51 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.03 0.443 . . . . 74.43 110.725 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.461 HD21 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -60.99 -36.52 79.67 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.209 -0.45 . . . . 72.12 111.264 177.53 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.99 67.22 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.438 -0.346 . . . . 64.41 111.562 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -100.4 6.33 44.45 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.94 0.348 . . . . 73.43 111.94 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.46 41.83 90.02 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.583 -0.341 . . . . 72.4 113.498 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -122.93 148.21 45.73 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.781 0.324 . . . . 75.51 111.287 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -80.93 115.24 20.31 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.195 0.521 . . . . 74.44 111.066 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 HG22 ' HG ' ' A' ' 58' ' ' LEU . 13.9 p -57.45 -28.72 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.912 -0.585 . . . . 60.45 112.237 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.5 -41.69 90.46 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.306 0.484 . . . . 73.23 112.306 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.31 -32.28 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.102 0.477 . . . . 73.15 110.682 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 30' ' ' LEU . 57.2 mt -68.7 -48.89 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.067 -0.515 . . . . 73.35 110.591 175.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' HG22 ' A' ' 54' ' ' VAL . 91.1 mt -55.22 -39.78 70.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.356 -0.383 . . . . 71.43 111.358 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 34.9 ttp85 -52.0 -53.32 43.08 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.125 0.488 . . . . 72.13 111.107 174.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -32.23 70.68 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.913 -0.585 . . . . 71.3 110.881 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.07 -52.15 31.47 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.933 0.346 . . . . 62.24 111.933 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -64.75 -24.6 67.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.662 0.268 . . . . 75.11 111.398 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.51 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.607 0.241 . . . . 73.33 111.394 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.4 -17.86 63.03 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.857 0.36 . . . . 74.4 111.407 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.2 -47.53 5.71 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.873 0.368 . . . . 62.54 111.504 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.07 -46.26 78.37 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.184 -0.462 . . . . 52.33 111.399 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 57.77 19.14 5.35 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.891 1.071 . . . . 74.25 113.891 173.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -83.29 -6.37 59.45 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 122.001 -0.437 . . . . 64.41 110.689 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 69.87 -70.81 0.14 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.459 0.704 . . . . 71.42 112.484 173.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 p80 60.86 -55.17 0.09 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.385 1.474 . . . . 73.5 114.07 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -71.94 95.49 1.57 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.555 -0.715 . . . . 74.43 111.114 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -121.6 74.31 1.11 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.557 0.694 . . . . 73.12 112.207 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 . . . . . 0 C--O 1.25 1.079 0 CA-C-N 115.419 -0.809 . . . . 74.11 110.106 173.675 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.493 0.187 . . . . 74.42 110.736 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 t -119.66 150.03 41.0 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.993 0.425 . . . . 74.31 112.077 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -91.75 163.16 14.18 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.007 -0.542 . . . . 70.44 110.831 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -67.6 -33.41 74.93 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.02 0.438 . . . . 74.13 111.298 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.564 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.4 m-85 -121.46 119.76 32.98 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.727 175.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.2 t -121.03 170.04 9.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.265 0.555 . . . . 64.51 112.189 -176.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.776 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.9 ptpt -73.32 -17.61 61.28 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.036 -0.529 . . . . 70.41 111.876 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -81.56 -36.52 28.99 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.593 0.59 . . . . 72.43 112.593 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.564 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.6 ptm -67.79 152.1 46.13 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.098 0.475 . . . . 71.34 112.111 -176.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.2 p -86.23 162.05 18.5 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.278 0.473 . . . . 63.45 112.278 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -57.6 -43.1 84.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.231 -0.441 . . . . 72.31 111.717 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.9 83.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.835 0.35 . . . . 74.2 111.313 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.62 -51.0 71.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.853 0.359 . . . . 73.53 110.956 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.99 79.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.404 -0.362 . . . . 73.13 111.901 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD23 HD13 ' A' ' 25' ' ' LEU . 93.4 mt -57.53 -34.63 69.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.277 0.473 . . . . 71.5 112.277 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -94.08 -4.72 48.87 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.085 0.402 . . . . 63.03 112.085 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -79.59 -52.8 7.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.887 0.375 . . . . 73.4 110.731 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.29 134.94 16.84 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 122.618 0.367 . . . . 74.31 111.096 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -59.87 -34.87 95.29 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.804 2.336 . . . . 73.11 113.313 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.15 -19.13 65.76 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.184 -0.531 . . . . 44.41 113.822 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.25 -41.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.964 0.357 . . . . 70.45 111.964 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -51.8 -55.77 17.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.863 0.363 . . . . 74.05 111.823 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -39.32 94.53 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.352 -0.452 . . . . 73.32 113.03 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.35 -46.84 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.961 0.41 . . . . 72.24 111.127 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 HD13 HD23 ' A' ' 15' ' ' LEU . 82.7 mt -57.98 -46.64 84.84 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.87 0.367 . . . . 73.23 110.763 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 59.6 mtp180 -62.11 -32.05 72.57 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.929 0.395 . . . . 72.43 111.171 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -62.11 -31.17 71.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.904 0.383 . . . . 64.21 111.3 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' HB3' HD12 ' A' ' 52' ' ' LEU . 77.2 m-85 -96.32 15.48 21.05 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 111.774 0.287 . . . . 71.41 111.774 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.1 t30 62.62 35.81 14.05 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.521 0.677 . . . . 73.31 111.327 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' O ' HG21 ' A' ' 33' ' ' ILE . 89.8 mt -102.7 11.88 37.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.053 -0.521 . . . . 71.3 111.555 176.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.47 -23.13 68.31 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.186 -0.53 . . . . 54.24 113.576 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 36' ' ' MET . 48.8 t -74.79 -0.24 17.62 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.363 0.505 . . . . 70.04 112.363 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.501 HG21 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -52.32 -27.12 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.497 0.555 . . . . 72.13 112.497 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.16 -50.08 29.96 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.057 -0.592 . . . . 74.42 112.613 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.99 -42.95 79.98 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.991 0.425 . . . . 74.03 112.055 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.7 ptm -79.3 0.65 27.98 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.922 0.341 . . . . 64.11 111.922 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.81 28.35 69.98 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 114.068 0.387 . . . . 60.11 114.068 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.73 17.47 0.7 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.315 0.487 . . . . 75.13 112.315 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -65.29 -27.89 68.94 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.796 0.332 . . . . 74.4 111.571 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -91.73 -7.64 49.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.878 0.371 . . . . 72.42 111.564 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -93.13 148.68 21.81 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.993 0.425 . . . . 75.3 111.626 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 86.9 p -76.74 155.01 33.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.924 0.392 . . . . 64.23 111.8 -177.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.08 -40.81 67.55 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.276 -0.42 . . . . 41.21 111.827 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.776 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.9 tt0 -65.27 -49.54 69.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.934 0.346 . . . . 53.45 111.934 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -60.69 -45.3 94.69 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.903 0.383 . . . . 73.53 111.058 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.47 92.95 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.116 -0.564 . . . . 36.59 112.588 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.86 52.72 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.755 0.312 . . . . 74.14 111.177 176.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -55.79 -41.66 74.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.486 -0.324 . . . . 75.41 111.258 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.44 99.1 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.021 0.438 . . . . 61.21 111.877 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -90.63 7.63 38.33 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.367 0.506 . . . . 73.15 112.367 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.65 51.02 57.4 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.38 -0.438 . . . . 64.02 113.634 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 28' ' ' TYR . 83.6 mt -126.97 171.52 11.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.1 0.476 . . . . 72.03 111.708 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -100.98 110.46 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.071 -0.513 . . . . 73.1 110.218 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.7 p -57.26 -36.22 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 111.839 0.311 . . . . 73.44 111.839 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.61 -37.45 87.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.014 0.435 . . . . 65.51 111.482 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.1 t70 -74.95 -38.59 61.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.109 0.48 . . . . 73.25 110.798 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.24 -50.23 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.975 0.416 . . . . 72.34 110.503 175.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 88.0 mt -58.24 -34.0 69.97 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.323 -0.399 . . . . 62.43 111.341 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 18.7 ttp180 -54.97 -49.85 70.4 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.06 0.457 . . . . 75.02 111.001 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.39 -40.29 77.46 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.178 -0.464 . . . . 54.25 111.112 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.76 -51.88 65.39 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.178 -0.465 . . . . 75.22 112.164 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -67.16 -25.65 66.26 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.096 -0.377 . . . . 55.43 111.336 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.77 -26.31 65.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.712 0.292 . . . . 43.23 111.232 174.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.07 -26.41 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.094 0.473 . . . . 73.51 111.508 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.74 -37.36 11.3 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.275 -0.42 . . . . 73.45 111.766 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.87 -49.6 11.71 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.919 0.39 . . . . 74.34 111.491 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.12 17.39 2.68 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.07 0.767 . . . . 60.34 113.07 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -58.75 134.73 57.09 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.641 0.258 . . . . 62.22 110.788 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -66.2 158.04 29.83 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.404 0.621 . . . . 62.21 112.28 -173.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -81.55 102.14 10.41 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.022 0.749 . . . . 62.32 113.022 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -132.8 128.94 37.86 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.672 -0.695 . . . . 75.43 110.002 170.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -117.35 171.79 7.74 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.083 0.468 . . . . 72.33 112.173 -172.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.865 -0.588 . . . . 73.42 110.866 173.272 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtm . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 120.564 0.221 . . . . 70.21 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -153.08 148.23 26.76 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.048 0.452 . . . . 64.12 111.973 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -75.12 155.48 37.02 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.286 -0.415 . . . . 71.44 110.452 175.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -78.37 -29.15 47.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.225 0.536 . . . . 72.41 110.367 174.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.734 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 93.7 m-85 -126.63 123.12 36.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.859 -0.609 . . . . 73.13 110.987 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.564 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -122.6 166.78 14.3 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.135 -0.484 . . . . 52.54 111.702 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.643 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -63.48 -28.92 70.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.816 0.341 . . . . 70.31 111.41 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.77 -35.96 72.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.931 -0.577 . . . . 74.42 112.49 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.734 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -71.71 148.47 46.38 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.244 0.545 . . . . 62.13 111.498 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.8 p -84.56 162.13 19.93 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.395 0.517 . . . . 65.43 112.395 -176.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -53.73 -42.29 67.95 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.296 -0.411 . . . . 74.24 111.422 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 39' ' ' GLN . . . -57.29 -48.89 77.76 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.389 -0.369 . . . . 71.24 111.325 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.26 -45.02 88.59 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.819 0.342 . . . . 73.03 111.295 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' HG11 ' A' ' 21' ' ' VAL . . . -57.02 -48.82 77.58 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.386 -0.37 . . . . 75.41 111.601 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.86 85.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.021 0.439 . . . . 75.33 111.528 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 28.2 mm-40 -73.39 -21.22 60.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.931 0.396 . . . . 74.54 111.724 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -80.71 -52.71 7.24 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.805 0.336 . . . . 75.52 111.365 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -137.3 120.87 11.81 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 122.337 0.255 . . . . 75.41 111.256 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.92 -34.42 91.78 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.545 2.163 . . . . 75.15 113.125 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -20.32 50.38 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.508 -0.377 . . . . 70.5 113.963 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 14' ' ' ALA . 85.9 t -60.1 -32.76 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 122.595 -0.356 . . . . 74.34 111.623 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -51.03 67.7 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.019 0.438 . . . . 61.33 111.303 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.16 97.58 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 116.185 -0.461 . . . . 73.53 112.683 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.37 -55.37 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.968 0.413 . . . . 62.3 111.173 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.29 -50.93 69.99 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.286 -0.416 . . . . 72.42 111.271 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.66 -32.32 72.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.801 0.296 . . . . 74.3 111.801 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -62.96 -37.96 89.17 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.218 0.533 . . . . 72.04 111.184 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HB3' HD12 ' A' ' 52' ' ' LEU . 28.1 m-85 -89.84 11.56 19.85 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.16 -0.473 . . . . 72.44 112.041 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 63.86 45.97 4.14 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.636 0.731 . . . . 73.13 111.009 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -112.38 13.27 20.26 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.879 -0.601 . . . . 74.44 110.601 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.01 -26.5 68.68 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.251 -0.5 . . . . 73.21 113.615 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.22 -9.96 13.54 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.507 0.558 . . . . 71.11 112.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.0 pt -48.13 -37.58 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 111.988 0.366 . . . . 60.25 111.988 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.13 -41.6 86.35 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.967 -0.635 . . . . 64.41 112.757 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -65.84 -52.06 53.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.761 0.315 . . . . 75.34 111.763 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -76.1 -10.4 59.39 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.76 58.24 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.137 -0.554 . . . . 73.11 113.186 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.2 31.71 0.64 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.073 0.463 . . . . 71.31 111.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.527 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 32.5 mm-40 -62.97 -34.51 77.67 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 122.193 -0.317 . . . . 73.21 111.769 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -89.75 13.45 14.31 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.966 0.412 . . . . 72.13 111.868 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -91.05 134.12 34.76 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.651 0.262 . . . . 54.4 110.36 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.535 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 83.6 p -73.6 154.47 39.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.048 0.452 . . . . 74.12 111.425 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt -54.53 -40.39 68.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.027 -0.533 . . . . 61.04 112.413 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.7 tt0 -66.66 -45.63 78.34 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.81 0.3 . . . . 75.54 111.81 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -55.48 -51.36 67.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.949 0.404 . . . . 74.51 111.268 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.77 -37.57 94.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 120.929 -0.653 . . . . 36.6 113.164 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.57 -60.09 3.92 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.504 -0.409 . . . . 63.05 111.435 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -59.67 -39.49 84.64 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.944 0.402 . . . . 65.5 111.587 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -30.32 68.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.228 0.455 . . . . 51.45 112.228 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -102.2 4.76 39.72 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.045 0.387 . . . . 72.24 112.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.71 32.87 39.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.3 -0.476 . . . . 75.33 113.765 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 28' ' ' TYR . 37.6 mt -117.98 163.99 15.76 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.666 0.387 . . . . 75.41 111.629 -176.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -98.75 121.02 40.17 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.141 -0.318 . . . . 61.4 110.141 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.5 p -53.78 -39.43 39.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 111.964 0.357 . . . . 73.11 111.964 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.74 -43.88 97.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.934 0.397 . . . . 64.43 111.457 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 31.7 t70 -62.36 -32.86 73.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.082 0.468 . . . . 65.32 111.103 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.3 mt -74.57 -51.21 23.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.112 -0.495 . . . . 71.21 110.938 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.1 mt -54.3 -31.23 53.46 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.988 0.423 . . . . 71.05 111.153 177.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 4.6 ttp180 -50.77 -56.62 11.21 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.744 -0.662 . . . . 74.52 111.525 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 9.7 t70 -72.86 -40.18 65.88 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.302 -0.408 . . . . 71.34 111.038 -178.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -56.92 -51.62 68.4 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.868 0.322 . . . . 65.24 111.868 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -68.32 -32.37 72.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.692 0.282 . . . . 61.35 110.901 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -24.75 66.03 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.628 -0.26 . . . . 70.43 111.563 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 93.7 mt -69.36 -36.09 76.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.998 0.428 . . . . 73.2 111.454 175.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.71 -32.27 52.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.065 0.459 . . . . 75.24 111.762 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.9 mt -89.52 -48.66 7.16 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.05 -0.523 . . . . 73.53 111.932 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.57 94.8 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.306 0.642 . . . . 73.34 111.963 -173.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -112.23 125.57 54.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.0 -0.546 . . . . 73.53 111.061 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -91.31 127.94 36.94 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.902 0.382 . . . . 74.34 111.053 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -80.73 -29.98 36.3 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.432 0.531 . . . . 75.24 112.432 -173.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -74.95 129.9 38.45 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.72 0.295 . . . . 71.33 111.16 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -67.09 98.45 0.58 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.356 0.502 . . . . 71.52 112.356 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 C--O 1.252 1.209 0 CA-C-O 118.666 -0.683 . . . . 74.52 110.818 172.674 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 97.7 m-85 . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 121.104 0.478 . . . . 63.210000000000001 110.491 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.3 t -121.58 162.17 21.09 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.121 0.486 . . . . 74.030000000000001 111.831 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.734 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.5 ptpt -68.56 -20.86 64.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.335 -0.393 . . . . 74.010000000000005 111.408 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.68 -31.85 52.73 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.841 -0.618 . . . . 72.209999999999994 112.199 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -75.52 159.04 31.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.934 0.397 . . . . 74.209999999999994 111.583 -176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 62.0 p -86.09 159.55 19.52 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.373 0.509 . . . . 60.509999999999998 112.373 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.17 -43.08 87.29 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.291 -0.413 . . . . 75.239999999999995 111.534 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -57.37 -41.21 79.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.917 0.389 . . . . 70.340000000000003 111.735 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.93 -42.84 76.24 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.681 -0.236 . . . . 73.0 111.264 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.02 78.68 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.962 0.411 . . . . 72.040000000000006 111.592 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 25' ' ' LEU . 97.0 mt -56.75 -41.43 77.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 111.875 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -79.46 -8.28 59.01 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.122 0.416 . . . . 74.420000000000002 112.122 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' ND1' ' A' ' 18' ' ' HIS . 96.3 m -86.46 -41.25 14.56 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.024 0.44 . . . . 72.439999999999998 110.974 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.409 ' ND1' HG22 ' A' ' 17' ' ' THR . 57.3 m80 -149.03 115.81 3.74 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 122.518 0.327 . . . . 73.209999999999994 110.784 174.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.25 -32.21 59.55 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.485 2.123 . . . . 64.239999999999995 113.089 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.31 -21.34 56.75 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 121.382 -0.437 . . . . 71.349999999999994 113.558 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.8 t -58.69 -36.08 58.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.683 0.278 . . . . 64.420000000000002 111.272 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -56.87 -46.23 81.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.746 0.307 . . . . 74.519999999999996 111.269 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.24 -45.36 96.66 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 121.106 -0.568 . . . . 72.200000000000003 112.764 177.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 64' ' ' LEU . 61.9 t -59.81 -51.17 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.857 0.36 . . . . 65.420000000000002 111.098 177.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.474 HD12 HD21 ' A' ' 15' ' ' LEU . 85.6 mt -58.03 -49.93 75.18 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 111.745 0.276 . . . . 73.140000000000001 111.745 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 73.3 mtp180 -60.54 -37.62 81.83 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.804 0.335 . . . . 72.040000000000006 111.294 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 t -65.24 -31.1 72.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.154 0.502 . . . . 64.510000000000005 110.971 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.31 20.85 6.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.229 -0.441 . . . . 74.510000000000005 112.134 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 68.55 5.0 4.58 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.28 0.562 . . . . 64.120000000000005 111.931 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' ILE . 96.9 mt -90.56 14.59 12.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.897 -0.502 . . . . 70.129999999999995 111.802 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.21 -27.67 73.5 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.872 -0.68 . . . . 73.349999999999994 112.834 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 36' ' ' MET . 63.2 m -65.18 -5.96 8.12 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.826 0.676 . . . . 72.019999999999996 112.826 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 30' ' ' LEU . 27.8 pt -54.18 -30.98 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 112.632 0.604 . . . . 44.310000000000002 112.632 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.98 -37.86 64.4 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.816 -0.707 . . . . 72.439999999999998 112.779 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.86 -52.57 9.24 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.817 0.341 . . . . 52.439999999999998 111.705 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.0 ptm -69.22 -2.48 10.61 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.345 0.498 . . . . 70.219999999999999 112.345 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.34 27.81 69.11 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.184 -0.531 . . . . 43.149999999999999 113.567 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.2 9.51 6.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.478 -0.425 . . . . 60.210000000000001 111.989 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 29.6 mm-40 -57.82 -41.96 83.29 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.167 0.508 . . . . 63.039999999999999 111.071 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -87.65 13.11 11.03 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.999 -0.546 . . . . 74.129999999999995 111.572 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -108.87 146.34 33.87 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.541 -0.299 . . . . 62.009999999999998 111.336 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 61.4 m -70.16 150.22 46.73 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.867 0.365 . . . . 70.129999999999995 111.958 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 6' ' ' THR . 85.3 mt -53.28 -44.77 68.51 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.53 0.567 . . . . 74.010000000000005 112.53 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -64.81 -35.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 111.86 0.319 . . . . 73.530000000000001 111.86 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.19 -49.73 70.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.862 0.363 . . . . 75.430000000000007 111.191 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.55 -34.81 90.13 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.002 -0.618 . . . . 71.409999999999997 112.903 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -59.28 5.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.725 0.298 . . . . 72.409999999999997 111.601 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -60.05 -34.43 73.4 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.705 0.288 . . . . 63.009999999999998 111.529 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.88 70.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.992 0.425 . . . . 75.299999999999997 111.657 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -100.87 11.18 40.09 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.957 0.408 . . . . 62.0 111.381 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 36.99 85.98 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.244 0.458 . . . . 61.149999999999999 114.244 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -120.48 161.48 21.18 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.994 0.426 . . . . 73.019999999999996 111.311 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -98.5 123.75 42.83 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.955 0.407 . . . . 60.509999999999998 110.078 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.439 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 p -61.08 -25.83 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 116.32 -0.4 . . . . 72.230000000000004 111.927 -176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -56.11 -51.84 66.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.905 0.383 . . . . 73.430000000000007 111.729 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.18 -35.17 79.41 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.126 0.489 . . . . 72.349999999999994 111.124 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.18 -52.44 52.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.087 -0.506 . . . . 75.099999999999994 110.893 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.7 mt -57.54 -36.66 71.9 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.243 -0.435 . . . . 73.430000000000007 111.095 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -52.03 -56.73 12.51 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.075 -0.511 . . . . 74.209999999999994 111.53 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -36.42 66.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.29 -0.414 . . . . 73.140000000000001 111.653 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.92 -48.16 80.14 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.999 0.428 . . . . 73.099999999999994 111.652 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.84 -29.45 70.18 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.012 0.434 . . . . 53.149999999999999 111.335 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.57 70.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.354 -0.385 . . . . 72.400000000000006 111.153 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.406 HD11 HG21 ' A' ' 24' ' ' VAL . 83.8 mt -67.59 -25.63 65.87 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.371 -0.377 . . . . 70.329999999999998 111.052 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 CA-C-O 120.974 0.416 . . . . 64.019999999999996 111.421 178.198 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.654 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 92.0 m-85 . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 121.087 0.47 . . . . 64.340000000000003 110.253 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.638 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.0 t -123.32 156.04 36.08 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.305 0.574 . . . . 64.120000000000005 111.987 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.813 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -54.4 -26.09 28.46 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.516 0.561 . . . . 72.299999999999997 112.516 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.21 -15.08 57.8 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.607 0.595 . . . . 73.099999999999994 112.607 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.654 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 23.2 ptm -88.66 158.4 18.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.973 -0.454 . . . . 71.239999999999995 110.949 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 38.4 p -85.38 158.37 20.26 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.0 0.429 . . . . 71.140000000000001 112.068 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -55.23 -44.4 75.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.251 -0.431 . . . . 72.439999999999998 111.595 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -54.98 -48.91 72.65 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.2 -0.455 . . . . 63.450000000000003 111.675 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.467 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 78.2 mt-30 -56.4 -48.36 77.07 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.832 0.348 . . . . 64.049999999999997 111.46 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -58.23 -44.25 88.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.366 -0.379 . . . . 53.399999999999999 111.306 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD21 HD12 ' A' ' 25' ' ' LEU . 97.4 mt -63.02 -28.19 69.93 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.157 -0.474 . . . . 74.040000000000006 112.151 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 21.6 mm-40 -82.75 -31.39 28.4 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.956 0.408 . . . . 73.420000000000002 111.107 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.1 m -67.28 -58.14 5.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.462 -0.335 . . . . 70.109999999999999 111.504 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 6.6 m-70 -138.3 131.68 16.48 Favored Pre-proline 0 N--CA 1.471 0.589 0 O-C-N 122.331 -0.23 . . . . 72.209999999999994 111.427 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 37.4 Cg_exo -60.97 -33.13 92.8 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.864 2.376 . . . . 72.329999999999998 112.959 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.64 53.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.237 -0.438 . . . . 54.299999999999997 113.438 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.539 HG11 ' HB1' ' A' ' 14' ' ' ALA . 84.6 t -56.07 -37.67 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.566 0.222 . . . . 54.0 111.419 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.24 76.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.996 0.426 . . . . 62.130000000000003 111.4 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -44.12 91.06 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.218 -0.515 . . . . 61.32 112.735 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 HD11 ' A' ' 64' ' ' LEU . 83.9 t -59.73 -49.19 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.916 0.388 . . . . 65.230000000000004 111.417 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 HD13 ' A' ' 33' ' ' ILE . 93.1 mt -55.25 -52.41 63.5 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.291 -0.413 . . . . 72.420000000000002 110.899 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -56.73 -39.57 74.16 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.837 0.351 . . . . 64.530000000000001 111.284 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.9 t -61.62 -36.58 81.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.199 -0.455 . . . . 72.310000000000002 112.012 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -88.24 5.15 43.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.083 0.401 . . . . 70.530000000000001 112.083 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 69.74 53.54 0.39 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.827 0.822 . . . . 74.439999999999998 110.625 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 33' ' ' ILE . 99.6 mt -126.39 15.32 7.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.472 -0.785 . . . . 70.450000000000003 110.9 175.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -20.29 71.72 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.985 -0.626 . . . . 71.129999999999995 112.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 35' ' ' CYS . 42.4 t -81.49 8.21 10.06 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.011 0.374 . . . . 74.109999999999999 112.011 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 30' ' ' LEU . 10.3 pt -54.46 -31.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 112.575 0.583 . . . . 54.530000000000001 112.575 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -39.7 69.25 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.751 -0.738 . . . . 74.239999999999995 112.398 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.72 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 67.2 m -68.91 -39.97 79.39 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.781 0.325 . . . . 70.5 111.721 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.6 ptm -86.41 3.79 42.23 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 111.913 0.338 . . . . 73.540000000000006 111.913 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.55 29.95 75.1 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 121.388 -0.434 . . . . 32.240000000000002 114.082 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.35 11.25 3.73 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.855 0.687 . . . . 44.530000000000001 112.855 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -65.65 -30.49 71.2 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.273 0.558 . . . . 74.099999999999994 110.834 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -98.42 20.8 12.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.963 -0.562 . . . . 65.200000000000003 111.081 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -123.72 151.05 43.61 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.562 -0.29 . . . . 72.340000000000003 111.047 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 82.5 p -76.6 155.23 33.7 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.085 0.469 . . . . 63.240000000000002 111.909 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.78 -42.32 64.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.757 -0.656 . . . . 52.299999999999997 112.113 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.9 tt0 -64.68 -48.07 76.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 111.929 0.344 . . . . 73.420000000000002 111.929 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.63 -46.47 88.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.744 0.307 . . . . 65.519999999999996 111.485 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -45.41 95.97 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.118 -0.563 . . . . 74.299999999999997 112.894 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.15 66.88 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.003 0.43 . . . . 64.439999999999998 111.159 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HG2' ' A' ' 44' ' ' GLU . 92.2 m-20 -55.78 -33.04 64.0 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.013 -0.54 . . . . 65.439999999999998 112.03 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -36.16 77.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.1 0.476 . . . . 75.420000000000002 111.391 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -90.83 5.52 48.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.305 -0.407 . . . . 72.120000000000005 111.458 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.15 35.21 90.16 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.621 -0.323 . . . . 74.430000000000007 113.697 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -102.63 160.88 14.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.997 0.427 . . . . 75.200000000000003 111.992 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -84.25 104.61 14.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.138 -0.483 . . . . 71.219999999999999 110.182 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.1 p -58.4 -34.51 50.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 111.886 0.328 . . . . 54.509999999999998 111.886 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -60.63 -46.54 89.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.163 0.506 . . . . 61.450000000000003 110.855 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 t70 -68.62 -33.09 73.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.143 -0.48 . . . . 63.43 111.147 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 53' ' ' ASN . 59.2 mt -64.23 -53.15 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.902 0.382 . . . . 64.25 111.127 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 79.2 mt -55.13 -36.95 66.31 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.114 0.483 . . . . 61.409999999999997 110.938 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.542 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 1.5 ttp180 -51.44 -56.02 15.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.605 -0.725 . . . . 74.239999999999995 111.421 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -72.1 -32.82 67.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.837 0.351 . . . . 70.329999999999998 111.47 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.39 -49.48 76.73 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.874 0.368 . . . . 70.439999999999998 111.75 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -71.91 -26.7 62.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.973 0.416 . . . . 73.230000000000004 111.166 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.37 -23.92 66.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.792 0.33 . . . . 73.219999999999999 111.28 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 24' ' ' VAL . 96.2 mt -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.802 0.334 . . . . 74.239999999999995 111.482 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 120.89 0.376 . . . . 64.329999999999998 111.52 178.061 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 64.8 m-85 . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.335 -0.617 . . . . 72.019999999999996 109.335 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.8 t -95.3 162.17 13.79 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.352 0.596 . . . . 72.519999999999996 112.088 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.868 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.2 ptpt -69.59 -18.19 63.61 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.029 -0.532 . . . . 64.319999999999993 111.349 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.17 -37.67 66.47 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.892 -0.594 . . . . 74.329999999999998 112.078 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.618 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.1 ptm -70.89 149.47 46.72 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.072 0.463 . . . . 75.340000000000003 111.489 -176.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 30.8 p -80.61 165.42 22.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 112.047 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -56.48 -42.78 78.84 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 61.310000000000002 111.043 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.19 88.05 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.323 -0.399 . . . . 71.120000000000005 111.46 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.523 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 75.6 mt-30 -58.67 -47.15 85.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.005 0.431 . . . . 71.239999999999995 110.872 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.03 74.94 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.35 -0.386 . . . . 71.510000000000005 111.654 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.45 -38.16 71.26 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.368 -0.378 . . . . 73.409999999999997 111.942 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -75.74 -28.6 58.58 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.86 0.319 . . . . 45.350000000000001 111.86 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.1 m -67.93 -43.07 79.99 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 111.744 0.276 . . . . 75.349999999999994 111.744 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -149.21 143.1 16.59 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-O 120.788 0.328 . . . . 64.120000000000005 111.803 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.14 -22.63 22.28 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.751 2.301 . . . . 64.439999999999998 113.543 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.61 -15.34 80.61 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.235 -0.507 . . . . 52.210000000000001 113.625 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.14 -38.34 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.988 0.366 . . . . 74.439999999999998 111.988 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.83 -47.33 64.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.911 0.386 . . . . 44.43 111.76 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.11 -42.17 99.58 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 121.148 -0.548 . . . . 63.030000000000001 112.819 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -62.05 -50.93 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 120.886 0.374 . . . . 75.519999999999996 111.476 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.0 mt -56.6 -47.01 80.52 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.878 0.37 . . . . 73.129999999999995 111.343 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -61.86 -43.28 99.17 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.855 0.36 . . . . 71.120000000000005 111.279 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 t -58.8 -33.65 70.59 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.14 0.495 . . . . 73.129999999999995 111.642 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' CD2' HG12 ' A' ' 57' ' ' ILE . 31.9 m-85 -96.85 25.29 5.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.156 -0.475 . . . . 63.009999999999998 112.024 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 70.47 -17.68 0.27 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.752 0.649 . . . . 65.030000000000001 112.752 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' ILE . 83.2 mt -62.7 -10.32 12.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.416 0.524 . . . . 74.409999999999997 112.416 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.06 -22.21 12.52 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.439 -0.41 . . . . 63.530000000000001 113.817 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 36' ' ' MET . 71.0 m -73.01 3.17 5.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.547 0.573 . . . . 32.130000000000003 112.547 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 30' ' ' LEU . 16.0 pt -54.96 -30.32 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.125 0.417 . . . . 74.299999999999997 112.125 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.13 -41.5 96.99 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.056 -0.592 . . . . 33.350000000000001 112.527 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.6 t -71.57 -55.13 8.39 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.95 0.352 . . . . 72.299999999999997 111.95 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.5 ptm -72.08 -12.06 61.04 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.938 0.718 . . . . 54.32 112.938 -174.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.32 48.54 14.18 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.112 -0.566 . . . . 42.210000000000001 112.819 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' A' ' 33' ' ' ILE . . . -111.11 64.69 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.429 0.633 . . . . 44.030000000000001 110.825 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -99.81 -40.23 7.82 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.345 0.593 . . . . 74.129999999999995 110.448 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -90.04 1.68 56.05 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.539 -0.755 . . . . 74.299999999999997 111.601 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -91.07 143.57 26.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.792 0.329 . . . . 70.140000000000001 111.414 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 35.6 m -71.91 151.21 43.5 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.876 0.369 . . . . 72.129999999999995 111.776 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 6' ' ' THR . 99.4 mt -53.27 -46.14 69.15 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.735 0.642 . . . . 74.239999999999995 112.735 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.868 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 45.5 tt0 -61.87 -46.71 88.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.12 0.486 . . . . 54.32 111.288 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -57.28 -42.03 80.86 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.91 -0.586 . . . . 53.049999999999997 111.226 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.79 88.92 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.067 -0.587 . . . . 53.32 112.931 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.89 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.767 0.317 . . . . 73.219999999999999 111.142 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -51.87 -46.28 64.41 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.92 0.391 . . . . 72.299999999999997 111.355 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.52 70.87 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.375 0.509 . . . . 72.420000000000002 112.375 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -99.24 2.65 45.83 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.003 0.372 . . . . 72.299999999999997 112.003 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.35 35.82 92.43 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.333 -0.461 . . . . 72.230000000000004 113.271 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.3 mt -105.5 157.77 17.14 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.049 0.452 . . . . 75.209999999999994 111.717 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.54 104.47 14.57 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.317 -0.401 . . . . 73.510000000000005 110.755 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 8.1 p -54.48 -38.23 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 112.589 0.589 . . . . 72.140000000000001 112.589 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.09 -41.38 96.55 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.856 0.36 . . . . 73.109999999999999 111.655 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.2 t70 -67.64 -34.69 77.47 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.054 0.455 . . . . 64.420000000000002 110.779 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 30' ' ' LEU . 57.6 mt -65.92 -52.94 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.785 -0.643 . . . . 65.329999999999998 110.947 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 7' ' ' LYS . 80.2 mt -56.97 -34.13 67.77 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.138 -0.483 . . . . 72.329999999999998 111.26 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.8 ttp180 -51.83 -55.63 18.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.006 -0.543 . . . . 71.299999999999997 111.69 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.15 -34.28 68.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.006 0.431 . . . . 63.409999999999997 110.889 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.8 -49.02 78.02 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 74.219999999999999 111.889 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.55 -25.74 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.222 -0.298 . . . . 72.329999999999998 111.304 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -29.39 67.47 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.783 0.325 . . . . 71.430000000000007 110.955 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.09 -32.79 74.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.039 0.447 . . . . 70.409999999999997 111.351 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.264 0.554 . . . . 34.130000000000003 111.294 179.019 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.609 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 120.883 0.373 . . . . 74.540000000000006 110.713 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.3 t -116.44 165.25 13.43 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.245 -0.434 . . . . 65.099999999999994 111.635 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -69.92 -17.75 63.34 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.85 0.357 . . . . 73.150000000000006 111.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.32 -26.48 42.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.637 0.606 . . . . 63.049999999999997 112.637 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.628 ' HG2' ' O ' ' A' ' 6' ' ' THR . 24.9 ptm -78.25 150.53 33.39 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.961 -0.462 . . . . 53.140000000000001 111.148 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.478 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.2 p -82.74 158.6 22.8 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.145 0.424 . . . . 52.420000000000002 112.145 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -53.6 -42.7 67.95 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.012 -0.54 . . . . 75.219999999999999 111.456 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.21 76.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.323 -0.399 . . . . 63.240000000000002 111.326 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.478 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 77.0 mt-30 -58.47 -47.56 83.65 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.435 -0.348 . . . . 75.310000000000002 111.059 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -54.52 -51.09 66.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.265 -0.425 . . . . 74.340000000000003 111.601 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.49 -39.65 84.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.51 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.15 0.41 40.99 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.242 0.46 . . . . 75.340000000000003 112.242 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.483 HG22 ' ND1' ' A' ' 18' ' ' HIS . 86.7 m -101.13 -40.83 7.0 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.068 0.461 . . . . 34.439999999999998 110.977 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' ND1' HG22 ' A' ' 17' ' ' THR . 66.0 m80 -149.3 112.71 3.51 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 122.612 0.365 . . . . 63.119999999999997 110.946 176.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.97 -34.51 22.93 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.964 2.443 . . . . 70.439999999999998 113.75 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.2 -25.43 47.46 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.402 -0.428 . . . . 72.209999999999994 113.739 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 14' ' ' ALA . 87.5 t -55.01 -32.91 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 120.813 0.339 . . . . 62.439999999999998 111.664 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.34 -45.84 72.78 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.969 0.414 . . . . 72.349999999999994 111.647 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.99 89.58 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.104 -0.569 . . . . 63.210000000000001 112.552 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.2 -52.28 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.862 0.363 . . . . 61.100000000000001 111.099 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 83.6 mt -56.3 -47.78 77.99 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.95 0.405 . . . . 73.430000000000007 111.412 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -57.9 -37.0 73.23 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.881 0.372 . . . . 64.430000000000007 111.702 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -62.33 -40.94 98.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.852 0.358 . . . . 62.409999999999997 111.526 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' HB3' HD13 ' A' ' 52' ' ' LEU . 97.8 m-85 -85.9 1.57 49.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.182 0.438 . . . . 74.420000000000002 112.182 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 68.81 64.72 0.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.558 0.694 . . . . 70.409999999999997 111.045 -174.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.9 mt -128.28 6.4 5.84 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.93 -0.577 . . . . 75.510000000000005 111.33 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.93 68.33 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.823 -0.704 . . . . 63.32 112.89 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.31 -2.1 15.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.467 0.543 . . . . 64.340000000000003 112.467 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -54.26 -32.74 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 112.056 0.391 . . . . 73.510000000000005 112.056 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.33 90.11 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.994 -0.622 . . . . 61.200000000000003 112.63 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.5 m -75.78 -48.51 21.41 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.877 0.37 . . . . 65.019999999999996 111.42 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.5 -7.68 54.78 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.954 0.407 . . . . 65.439999999999998 111.837 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.83 32.24 64.01 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 121.272 -0.49 . . . . 63.549999999999997 113.707 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.1 20.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.401 0.519 . . . . 51.509999999999998 112.401 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -63.27 -35.22 79.63 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.133 0.42 . . . . 64.310000000000002 112.133 -177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -93.75 5.58 51.19 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.75 0.309 . . . . 71.230000000000004 111.52 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -98.95 148.16 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.924 0.392 . . . . 63.119999999999997 111.802 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 96.6 p -71.56 154.65 41.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.173 -0.467 . . . . 42.420000000000002 111.837 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.8 mt -52.69 -46.76 67.41 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.997 0.74 . . . . 71.510000000000005 112.997 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.618 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 43.7 tt0 -65.17 -44.83 87.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.135 0.42 . . . . 70.239999999999995 112.135 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.54 -52.94 63.53 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.549 0.214 . . . . 62.509999999999998 111.147 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.43 94.81 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 121.119 -0.562 . . . . 74.420000000000002 113.211 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.21 24.58 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.851 0.358 . . . . 24.449999999999999 111.565 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -62.35 -31.31 71.94 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.645 0.26 . . . . 63.100000000000001 111.574 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.69 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.021 0.439 . . . . 74.200000000000003 111.336 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -101.91 11.18 38.99 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.304 -0.407 . . . . 72.129999999999995 111.599 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.92 52.99 40.5 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.335 -0.46 . . . . 53.530000000000001 113.209 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 28' ' ' TYR . 75.8 mt -126.4 163.97 22.12 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.182 0.515 . . . . 71.519999999999996 111.947 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -101.05 100.2 10.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.957 -0.565 . . . . 72.230000000000004 110.525 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 p -57.84 -31.26 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 N-CA-C 112.185 0.439 . . . . 73.530000000000001 112.185 -176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -55.88 -46.31 78.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.212 0.529 . . . . 75.129999999999995 111.223 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.419 ' CG ' HH21 ' A' ' 59' ' ' ARG . 36.9 t70 -69.79 -39.0 76.85 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.873 -0.603 . . . . 71.230000000000004 110.746 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.6 mt -60.0 -46.98 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 111.109 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.2 mt -55.88 -42.83 76.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.497 -0.32 . . . . 74.540000000000006 111.102 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.419 HH21 ' CG ' ' A' ' 56' ' ' ASP . 31.1 ttp85 -52.61 -54.97 25.89 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.079 -0.51 . . . . 75.530000000000001 111.127 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.74 74.36 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 111.24 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 83.7 mt -67.31 -51.02 57.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.452 -0.34 . . . . 74.329999999999998 111.84 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.503 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 46.6 m-80 -68.22 -27.6 66.51 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.934 0.397 . . . . 72.430000000000007 111.102 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -29.29 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.224 -0.444 . . . . 51.229999999999997 111.655 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.27 -24.41 67.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 112.038 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 51.119999999999997 111.952 179.13 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.571 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.018 0.437 . . . . 73.230000000000004 110.424 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.2 t -123.85 156.28 36.49 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.026 -0.534 . . . . 50.350000000000001 111.799 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.1 ptpt -59.16 -21.09 58.84 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.87 0.366 . . . . 72.409999999999997 111.864 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.8 -38.17 73.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.874 -0.603 . . . . 64.430000000000007 112.598 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.0 ptm -75.1 154.99 37.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 75.239999999999995 111.956 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 42.7 p -84.96 162.95 19.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.186 0.439 . . . . 74.549999999999997 112.186 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 87.1 m-85 -54.26 -41.45 68.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.103 -0.498 . . . . 73.409999999999997 111.262 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -60.26 -48.55 81.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.953 0.406 . . . . 71.299999999999997 111.41 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 74.6 mt-30 -56.87 -44.45 82.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.977 0.418 . . . . 75.510000000000005 110.982 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.39 70.2 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.167 -0.47 . . . . 53.450000000000003 111.602 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 97.5 mt -55.99 -36.74 68.23 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.998 0.428 . . . . 74.120000000000005 111.676 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.84 -20.11 58.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.244 0.461 . . . . 73.340000000000003 112.244 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.5 m -83.27 -36.72 24.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 111.862 0.319 . . . . 64.109999999999999 111.862 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -150.18 125.64 4.91 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 122.386 0.275 . . . . 72.230000000000004 111.473 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.26 -31.07 92.79 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.584 2.189 . . . . 70.329999999999998 113.064 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -22.72 65.82 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.261 -0.495 . . . . 42.149999999999999 113.596 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.7 -37.78 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 111.79 0.293 . . . . 61.350000000000001 111.79 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.38 -47.22 72.91 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.927 0.394 . . . . 53.030000000000001 111.397 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.49 -43.83 91.51 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.108 -0.568 . . . . 43.340000000000003 112.585 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -52.19 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.956 0.408 . . . . 63.420000000000002 111.434 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.18 -42.22 85.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.592 -0.276 . . . . 54.340000000000003 111.371 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -59.69 -38.17 80.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.049 0.452 . . . . 74.420000000000002 111.242 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -65.24 -30.59 71.49 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.163 0.506 . . . . 65.129999999999995 111.246 176.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.453 ' CD2' HG12 ' A' ' 57' ' ' ILE . 42.2 m-85 -93.61 13.59 21.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.481 0.548 . . . . 72.140000000000001 112.481 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.2 t30 67.64 24.29 8.53 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 121.603 0.716 . . . . 73.340000000000003 111.75 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.8 mt -106.78 14.82 26.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.044 -0.525 . . . . 74.319999999999993 111.485 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -16.99 67.56 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 114.446 0.538 . . . . 62.32 114.446 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.9 m -72.51 -8.3 54.43 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.889 0.7 . . . . 51.340000000000003 112.889 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 30' ' ' LEU . 29.0 pt -51.21 -42.17 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.383 0.882 . . . . 52.43 113.383 -175.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.53 -42.07 89.22 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.716 -0.754 . . . . 64.519999999999996 113.411 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -72.0 -39.06 69.5 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.398 0.518 . . . . 65.219999999999999 112.398 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.2 ptm -85.79 -8.78 57.9 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.073 0.398 . . . . 71.239999999999995 112.073 -177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.8 23.55 61.81 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 121.032 -0.604 . . . . 34.420000000000002 113.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.36 16.47 0.61 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.38 0.511 . . . . 62.240000000000002 112.38 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.596 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 31.5 mm-40 -59.44 -26.03 64.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.093 0.473 . . . . 75.319999999999993 111.592 178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -87.72 -1.25 57.84 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.104 -0.498 . . . . 31.210000000000001 112.066 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -95.94 135.6 37.48 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.897 0.38 . . . . 75.230000000000004 111.938 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 73.7 m -70.05 151.36 45.61 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.487 -0.324 . . . . 65.519999999999996 111.567 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -52.32 -50.39 62.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.615 0.598 . . . . 52.25 112.615 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.779 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.8 tt0 -63.06 -41.41 99.46 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.206 -0.309 . . . . 70.510000000000005 111.685 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.44 -54.71 42.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.942 0.401 . . . . 72.129999999999995 110.819 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.28 97.26 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.216 -0.516 . . . . 74.409999999999997 113.44 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.23 -59.98 4.04 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.867 0.365 . . . . 65.010000000000005 111.412 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -63.16 -35.2 79.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.66 0.266 . . . . 73.120000000000005 111.474 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.09 -16.62 64.1 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.008 0.373 . . . . 53.329999999999998 112.008 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -112.75 10.66 19.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.771 0.319 . . . . 71.209999999999994 111.66 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.29 40.37 49.36 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 121.585 -0.34 . . . . 52.399999999999999 113.58 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 mt -127.33 151.05 49.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.437 -0.449 . . . . 42.299999999999997 111.279 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.63 116.08 27.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 110.075 -0.343 . . . . 64.010000000000005 110.075 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.9 p -56.55 -34.71 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.031 0.382 . . . . 54.32 112.031 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -61.59 -38.5 87.78 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.023 0.379 . . . . 73.299999999999997 112.023 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.85 -37.44 84.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.256 0.55 . . . . 72.5 110.108 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.453 HG12 ' CD2' ' A' ' 28' ' ' TYR . 39.6 mt -68.77 -46.24 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.778 -0.647 . . . . 74.439999999999998 111.144 178.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.9 mt -56.38 -32.89 65.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.169 -0.469 . . . . 71.439999999999998 111.768 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -54.95 -56.03 24.16 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.985 0.422 . . . . 71.010000000000005 111.26 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.32 -38.52 87.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.152 -0.476 . . . . 53.210000000000001 110.92 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.69 -51.5 68.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.26 -0.427 . . . . 72.209999999999994 111.853 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -66.29 -29.41 69.62 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.257 -0.277 . . . . 73.439999999999998 111.239 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.35 65.82 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.721 0.296 . . . . 53.399999999999999 111.593 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.26 -30.6 71.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.051 0.453 . . . . 74.239999999999995 111.456 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 112.01 0.374 . . . . 75.319999999999993 112.01 -179.553 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.459 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 88.0 m-85 . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 120.863 0.363 . . . . 62.439999999999998 110.66 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.564 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.8 t -126.01 163.85 22.14 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.051 0.453 . . . . 65.25 111.965 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -63.46 -19.62 64.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.345 -0.388 . . . . 73.310000000000002 111.746 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.35 -44.79 78.16 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.947 -0.57 . . . . 74.430000000000007 112.358 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -69.55 153.73 43.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.122 0.487 . . . . 65.510000000000005 111.843 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.4 p -91.16 167.34 12.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.268 -0.424 . . . . 71.010000000000005 112.049 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -57.87 -42.57 84.81 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.082 -0.508 . . . . 70.129999999999995 111.393 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -58.93 -43.79 91.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.886 0.374 . . . . 74.430000000000007 111.2 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.55 -42.51 98.36 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 111.211 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -59.73 -46.08 90.22 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.38 -0.373 . . . . 72.230000000000004 111.639 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -30.01 69.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.898 0.38 . . . . 73.349999999999994 111.601 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.3 mm-40 -78.44 -31.8 48.23 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.859 0.362 . . . . 75.430000000000007 111.33 176.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -65.07 -52.61 54.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.004 0.43 . . . . 75.349999999999994 111.077 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.47 122.83 6.21 Favored Pre-proline 0 N--CA 1.472 0.661 0 CA-C-N 116.388 -0.369 . . . . 72.209999999999994 111.234 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.08 -29.41 65.37 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.696 2.264 . . . . 75.340000000000003 112.969 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -19.43 61.84 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 121.355 -0.45 . . . . 41.439999999999998 113.77 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG11 ' HB1' ' A' ' 14' ' ' ALA . 79.3 t -58.1 -35.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.835 0.318 . . . . 65.310000000000002 111.614 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.37 63.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.95 0.405 . . . . 61.409999999999997 111.334 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -37.81 94.45 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.106 -0.568 . . . . 73.549999999999997 113.098 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 64' ' ' LEU . 59.9 t -63.89 -46.66 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.955 0.407 . . . . 72.25 110.962 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 87.6 mt -58.37 -48.64 79.96 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.266 -0.425 . . . . 41.32 110.722 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -57.39 -44.07 84.19 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.169 0.509 . . . . 74.310000000000002 110.963 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.08 -36.01 76.44 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.898 -0.592 . . . . 72.019999999999996 111.647 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.5 10.32 25.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.513 0.561 . . . . 72.219999999999999 112.513 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 t30 67.25 20.52 10.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.716 0.769 . . . . 64.519999999999996 111.486 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 33' ' ' ILE . 96.5 mt -90.17 -1.45 57.94 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.078 -0.51 . . . . 62.329999999999998 111.63 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.31 -22.6 30.81 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.339 -0.458 . . . . 42.329999999999998 113.566 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.8 m -65.26 -2.34 2.96 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.886 0.698 . . . . 74.109999999999999 112.886 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 30' ' ' LEU . 22.6 pt -56.91 -22.71 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 112.481 0.548 . . . . 75.140000000000001 112.481 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.93 -52.11 40.21 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.159 -0.543 . . . . 63.530000000000001 113.314 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.7 t -72.71 -41.1 65.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.022 0.379 . . . . 62.409999999999997 112.022 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -75.39 -9.69 58.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.663 0.268 . . . . 74.25 111.588 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 37.53 93.88 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.323 -0.465 . . . . 74.540000000000006 113.337 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 12.83 3.51 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.245 0.461 . . . . 71.109999999999999 112.245 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -57.71 -42.46 83.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.124 0.488 . . . . 71.310000000000002 111.175 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -89.58 14.73 10.85 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.857 -0.61 . . . . 63.149999999999999 111.823 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.29 139.22 45.7 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.712 0.291 . . . . 72.310000000000002 111.199 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 63.0 m -64.84 151.23 46.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.252 0.464 . . . . 74.150000000000006 112.252 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 9' ' ' MET . 91.3 mt -52.1 -46.84 65.43 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.411 0.522 . . . . 52.039999999999999 112.411 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.6 tt0 -63.5 -42.94 98.51 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 122.149 -0.345 . . . . 52.030000000000001 111.464 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -57.79 -55.62 32.46 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.891 0.377 . . . . 71.200000000000003 111.013 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.62 -36.95 93.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.177 -0.535 . . . . 72.400000000000006 113.024 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.67 -58.76 6.93 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.603 -0.351 . . . . 45.119999999999997 111.149 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -60.18 -35.01 74.41 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.693 0.283 . . . . 72.5 111.238 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.66 71.21 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.956 0.408 . . . . 53.229999999999997 111.333 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.66 0.16 49.35 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.995 0.426 . . . . 74.230000000000004 111.517 175.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 45.25 71.24 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 116.368 -0.378 . . . . 53.32 113.439 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.4 mt -125.87 148.43 49.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.907 0.385 . . . . 73.319999999999993 111.663 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -70.72 109.71 5.1 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.348 -0.387 . . . . 72.349999999999994 111.154 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.464 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.4 p -58.34 -35.42 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 112.251 0.463 . . . . 62.43 112.251 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.6 -46.41 85.94 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.003 0.371 . . . . 74.120000000000005 112.003 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 26.2 t70 -64.41 -34.23 77.69 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.891 0.376 . . . . 51.520000000000003 110.62 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.53 HD13 HD11 ' A' ' 30' ' ' LEU . 63.5 mt -62.78 -47.36 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.165 0.507 . . . . 64.120000000000005 110.592 173.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 91.9 mt -57.71 -32.39 67.34 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.03 -0.532 . . . . 74.219999999999999 111.501 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 57.8 ttp85 -56.39 -55.12 37.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.878 0.37 . . . . 72.409999999999997 111.245 175.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.85 -41.0 96.04 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.141 0.496 . . . . 70.209999999999994 110.87 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.25 -51.69 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.298 -0.41 . . . . 73.329999999999998 111.991 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 47.8 m-80 -66.71 -25.78 66.7 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.203 -0.31 . . . . 74.25 111.147 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.27 70.89 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.73 0.3 . . . . 63.020000000000003 110.944 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 24' ' ' VAL . 91.9 mt -68.69 -25.18 64.66 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.09 0.471 . . . . 73.519999999999996 111.217 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.964 0.411 . . . . 61.119999999999997 111.127 177.607 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 109.356 -0.609 . . . . 73.120000000000005 109.356 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.568 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.7 t -106.23 174.85 5.71 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.49 0.552 . . . . 72.239999999999995 112.49 -174.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.743 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.3 ptpt -84.34 -19.85 32.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.335 -0.393 . . . . 64.519999999999996 112.01 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.04 -32.81 61.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 72.310000000000002 111.507 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 6' ' ' THR . 21.9 ptm -70.66 146.1 50.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.007 0.432 . . . . 74.409999999999997 111.153 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 21.4 p -78.44 160.57 27.65 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.912 0.386 . . . . 63.409999999999997 111.743 -177.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.421 ' HB3' HD12 ' A' ' 33' ' ' ILE . 87.9 m-85 -53.2 -41.46 65.32 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 111.334 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.47 79.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.412 -0.358 . . . . 70.120000000000005 111.324 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 76.8 mt-30 -55.97 -48.56 75.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.019 0.438 . . . . 62.340000000000003 110.869 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.34 -50.07 75.39 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.174 -0.466 . . . . 64.209999999999994 111.969 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.432 HD21 HD12 ' A' ' 25' ' ' LEU . 97.6 mt -59.03 -33.72 71.07 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.946 0.403 . . . . 75.510000000000005 111.842 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -80.07 -17.79 51.75 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 111.869 0.322 . . . . 72.5 111.869 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -74.6 -59.17 2.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.9 0.381 . . . . 73.409999999999997 110.868 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.02 123.37 9.51 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 122.722 0.409 . . . . 61.030000000000001 110.852 176.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.03 -23.57 53.0 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.815 2.343 . . . . 61.439999999999998 113.302 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -30.0 66.0 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 121.297 -0.478 . . . . 64.109999999999999 113.16 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.433 HG13 HD22 ' A' ' 61' ' ' LEU . 99.3 t -54.24 -35.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 122.395 0.278 . . . . 62.520000000000003 111.558 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.04 77.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.485 -0.325 . . . . 60.409999999999997 111.698 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -43.18 99.34 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.158 -0.544 . . . . 52.210000000000001 112.821 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.34 -49.01 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.929 0.395 . . . . 51.409999999999997 111.53 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 HD12 HD21 ' A' ' 15' ' ' LEU . 87.6 mt -58.35 -47.56 83.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.097 0.475 . . . . 73.019999999999996 111.224 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -62.74 -30.31 71.34 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.474 -0.33 . . . . 54.219999999999999 111.254 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 t -67.12 -38.86 86.34 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.07 0.462 . . . . 73.230000000000004 111.413 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 52' ' ' LEU . 23.8 m-85 -84.09 3.04 36.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.338 0.495 . . . . 73.150000000000006 112.338 178.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 70.7 63.33 0.19 Allowed 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.797 0.808 . . . . 52.340000000000003 111.192 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 33' ' ' ILE . 95.9 mt -133.55 13.34 4.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.595 -0.73 . . . . 55.329999999999998 110.735 175.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.65 -21.76 67.37 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.929 -0.653 . . . . 40.420000000000002 113.665 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 36' ' ' MET . 50.9 t -77.18 -1.04 27.38 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.299 0.481 . . . . 51.32 112.299 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.498 HG23 ' O ' ' A' ' 30' ' ' LEU . 14.1 pt -52.4 -32.75 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 112.749 0.648 . . . . 74.239999999999995 112.749 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.19 -45.54 70.29 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.726 -0.749 . . . . 64.230000000000004 112.326 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 60.3 m -67.25 -50.88 58.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.749 0.309 . . . . 62.409999999999997 111.748 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.4 ptm -74.93 2.72 9.7 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.402 0.519 . . . . 72.109999999999999 112.402 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.37 13.45 79.85 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 114.152 0.421 . . . . 31.140000000000001 114.152 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 5.2 3.17 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.732 0.641 . . . . 73.150000000000006 112.732 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.4 -38.94 75.11 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.817 0.341 . . . . 74.439999999999998 111.842 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.73 5.41 43.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.925 0.393 . . . . 75.030000000000001 111.574 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 45' ' ' GLN . 29.0 tt0 -103.64 147.05 27.68 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.629 -0.26 . . . . 50.43 110.837 -177.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.522 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 95.9 p -70.22 151.13 45.7 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.018 0.437 . . . . 71.019999999999996 111.901 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 6' ' ' THR . 86.3 mt -52.58 -40.3 62.46 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.753 0.649 . . . . 64.400000000000006 112.753 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.9 tt0 -66.93 -43.07 84.23 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.833 0.308 . . . . 73.209999999999994 111.833 -177.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 78.8 mt-30 -61.22 -52.18 65.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.781 0.324 . . . . 74.239999999999995 111.124 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.74 -35.45 86.33 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 121.01 -0.614 . . . . 53.119999999999997 112.87 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.5 -56.92 15.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.818 0.342 . . . . 63.130000000000003 111.156 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -58.27 -36.11 72.79 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.621 0.248 . . . . 73.540000000000006 111.453 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.07 81.24 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.435 -0.348 . . . . 74.340000000000003 111.86 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -90.74 -0.23 57.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.824 0.305 . . . . 55.439999999999998 111.824 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.72 55.16 6.1 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 121.306 -0.473 . . . . 64.340000000000003 112.811 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 28' ' ' TYR . 92.1 mt -128.86 140.21 51.8 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.035 0.445 . . . . 72.420000000000002 111.796 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -71.97 103.3 3.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.227 -0.442 . . . . 72.409999999999997 110.975 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.47 -35.38 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 116.087 -0.506 . . . . 72.109999999999999 112.305 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.82 -36.87 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.697 0.284 . . . . 72.239999999999995 111.664 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.42 -32.45 64.42 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.017 0.437 . . . . 70.420000000000002 110.72 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.06 -55.14 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.117 -0.492 . . . . 74.219999999999999 111.348 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 7' ' ' LYS . 81.9 mt -55.85 -35.58 66.6 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.131 0.491 . . . . 74.219999999999999 110.992 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 59' ' ' ARG . 2.1 ttp180 -51.42 -55.67 17.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.611 -0.722 . . . . 73.5 111.675 175.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.71 -33.19 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.954 0.406 . . . . 75.209999999999994 111.2 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD22 HG13 ' A' ' 21' ' ' VAL . 83.6 mt -62.43 -51.46 67.45 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 111.955 0.354 . . . . 74.200000000000003 111.955 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.071 -0.393 . . . . 63.200000000000003 111.117 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.92 71.79 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.695 0.283 . . . . 74.319999999999993 111.225 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.84 -35.03 72.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.274 0.559 . . . . 75.239999999999995 111.183 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.477 0 CA-C-N 115.999 -0.546 . . . . 75.150000000000006 111.431 179.08 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.663 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.7 m-85 . . . . . 0 C--O 1.238 0.455 0 CA-C-O 121.049 0.452 . . . . 54.240000000000002 111.899 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -125.09 161.94 25.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.93 -0.577 . . . . 53.219999999999999 111.517 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.1 ptpt -64.49 -28.25 69.53 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.29 0.478 . . . . 63.350000000000001 112.29 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.39 4.17 54.41 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.702 0.63 . . . . 63.149999999999999 112.702 -171.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 25.7 ptm -94.18 153.33 18.14 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.891 -0.506 . . . . 63.219999999999999 110.721 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.497 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.4 p -76.48 152.33 36.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.24 0.459 . . . . 74.209999999999994 112.24 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -54.68 -37.71 66.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.23 -0.441 . . . . 70.450000000000003 111.434 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -51.23 70.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.438 -0.346 . . . . 61.219999999999999 111.51 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 77.4 mt-30 -57.33 -42.97 82.93 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.465 -0.334 . . . . 74.310000000000002 111.337 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.24 -50.06 74.07 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.013 0.435 . . . . 72.030000000000001 111.178 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.56 -40.37 91.38 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.559 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -68.68 -16.79 63.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.985 0.365 . . . . 71.25 111.985 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.4 m -82.71 -52.95 6.29 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.694 0.283 . . . . 74.209999999999994 111.325 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -145.28 128.83 8.53 Favored Pre-proline 0 N--CA 1.476 0.857 0 O-C-N 122.343 -0.223 . . . . 74.239999999999995 111.156 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.83 -35.2 87.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.826 2.35 . . . . 74.200000000000003 113.511 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -19.13 31.55 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 113.987 0.355 . . . . 63.43 113.987 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.415 HG11 ' HB1' ' A' ' 14' ' ' ALA . 89.8 t -58.53 -32.25 45.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 116.837 0.318 . . . . 61.109999999999999 111.12 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.23 82.39 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.916 0.389 . . . . 64.310000000000002 111.281 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.13 98.03 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.21 -0.519 . . . . 63.310000000000002 112.96 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 64' ' ' LEU . 62.1 t -62.77 -50.69 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.812 0.339 . . . . 74.040000000000006 111.194 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.89 -46.96 81.55 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.721 0.296 . . . . 63.310000000000002 111.118 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -63.92 -31.54 72.76 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 122.263 -0.273 . . . . 74.310000000000002 111.276 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 47.6 t -61.3 -30.65 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.999 0.428 . . . . 54.149999999999999 110.991 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -97.62 18.17 16.15 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.62 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.43 28.7 18.14 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.279 0.562 . . . . 74.430000000000007 111.769 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 33' ' ' ILE . 73.2 mt -97.26 6.99 47.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 122.55 0.34 . . . . 63.039999999999999 111.446 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.95 -27.43 62.15 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.173 -0.537 . . . . 52.539999999999999 114.256 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -73.89 3.58 6.5 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.902 0.705 . . . . 62.149999999999999 112.902 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 30' ' ' LEU . 18.6 pt -52.21 -36.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 122.14 -0.35 . . . . 70.019999999999996 111.862 176.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.23 74.75 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.135 -0.555 . . . . 43.450000000000003 112.953 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -82.12 -40.96 21.14 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.91 0.386 . . . . 64.409999999999997 111.617 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -88.24 9.34 23.36 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.195 0.443 . . . . 74.109999999999999 112.195 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.42 24.51 67.67 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.366 -0.445 . . . . 63.420000000000002 113.872 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.34 7.32 6.67 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.31 -0.524 . . . . 71.120000000000005 111.869 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -57.89 -39.23 77.39 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.056 0.455 . . . . 75.329999999999998 111.357 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -91.5 12.57 20.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.041 -0.527 . . . . 74.219999999999999 111.568 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 10' ' ' THR . 34.3 tt0 -107.28 152.15 24.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.52 -0.309 . . . . 75.430000000000007 111.104 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 m -71.85 149.92 44.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.936 0.398 . . . . 52.420000000000002 112.012 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -54.42 -43.48 71.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.039 -0.528 . . . . 71.329999999999998 112.328 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.641 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 46.4 tt0 -60.68 -43.62 97.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.862 0.363 . . . . 73.319999999999993 111.899 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.31 -50.94 69.66 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.346 -0.388 . . . . 70.239999999999995 111.3 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.59 -36.77 90.75 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.025 -0.607 . . . . 54.549999999999997 112.787 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.88 29.47 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.735 0.302 . . . . 75.319999999999993 111.066 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -60.51 -31.7 70.75 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.74 -0.209 . . . . 65.439999999999998 111.406 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -27.96 68.56 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.937 0.399 . . . . 65.140000000000001 111.886 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -106.11 8.97 32.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 111.901 0.334 . . . . 64.430000000000007 111.901 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 44.86 88.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.234 -0.508 . . . . 51.450000000000003 113.181 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.1 mt -123.32 164.75 18.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.911 0.386 . . . . 74.519999999999996 111.578 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -98.16 112.7 24.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.251 -0.431 . . . . 72.450000000000003 110.931 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.502 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 10.6 p -57.43 -33.92 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 116.196 -0.456 . . . . 74.140000000000001 111.963 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.3 -34.44 75.23 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.004 0.431 . . . . 73.519999999999996 111.621 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.536 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 39.0 t70 -72.33 -37.54 68.86 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.022 0.439 . . . . 70.450000000000003 110.922 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.57 -47.84 87.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.687 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.51 -34.37 64.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.984 -0.553 . . . . 74.420000000000002 111.437 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.1 ttp85 -51.35 -56.57 12.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.023 0.44 . . . . 54.399999999999999 111.594 174.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.72 -32.87 66.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.379 -0.373 . . . . 72.230000000000004 111.306 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.16 -52.23 60.02 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.364 0.505 . . . . 60.43 112.364 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.82 -27.72 67.78 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.096 -0.378 . . . . 74.230000000000004 111.167 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.7 69.69 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.82 0.343 . . . . 74.439999999999998 111.052 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 24' ' ' VAL . 91.8 mt -62.08 -25.33 67.64 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.899 0.381 . . . . 62.350000000000001 111.536 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 120.876 0.37 . . . . 51.009999999999998 111.629 178.661 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.5 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 . . . . . 0 C--O 1.236 0.393 0 CA-C-O 120.766 0.317 . . . . 75.319999999999993 110.872 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.1 t -135.76 154.17 51.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.2 -0.455 . . . . 53.399999999999999 111.366 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.2 ptpt -60.83 -19.23 59.43 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.911 0.386 . . . . 74.310000000000002 111.822 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.37 -36.92 71.62 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.89 -0.595 . . . . 65.25 112.236 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.61 ' HG2' ' O ' ' A' ' 6' ' ' THR . 18.5 ptm -70.9 155.36 40.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.175 0.512 . . . . 72.409999999999997 111.536 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 71.5 p -83.46 159.18 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 62.43 111.908 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HE2' HD13 ' A' ' 30' ' ' LEU . 86.7 m-85 -54.59 -40.86 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.266 -0.425 . . . . 74.040000000000006 111.372 176.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.08 84.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.468 -0.333 . . . . 61.030000000000001 111.473 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 78.1 mt-30 -61.16 -45.17 95.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.617 -0.265 . . . . 74.540000000000006 111.499 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.81 71.79 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.811 0.339 . . . . 75.319999999999993 111.486 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -56.58 -35.99 68.84 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.247 -0.433 . . . . 34.240000000000002 111.723 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -80.05 -24.93 40.36 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.459 0.541 . . . . 55.520000000000003 112.459 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HD2' ' A' ' 18' ' ' HIS . 79.6 m -71.21 -45.79 62.59 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.051 0.453 . . . . 65.129999999999995 110.594 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.402 ' HD2' HG22 ' A' ' 17' ' ' THR . 18.8 m-70 -147.42 118.57 4.55 Favored Pre-proline 0 N--CA 1.474 0.739 0 CA-C-N 116.379 -0.373 . . . . 64.200000000000003 111.031 174.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.22 -23.65 37.92 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.797 2.331 . . . . 74.530000000000001 113.49 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.41 -20.58 61.29 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 121.397 -0.43 . . . . 74.019999999999996 113.063 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.04 -30.67 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.294 0.238 . . . . 71.530000000000001 111.383 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -53.44 -49.12 68.03 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.921 0.391 . . . . 64.409999999999997 111.413 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.17 96.41 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.109 -0.567 . . . . 75.540000000000006 112.594 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 64' ' ' LEU . 46.6 t -59.16 -49.66 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.992 0.425 . . . . 74.239999999999995 111.501 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.46 -51.77 67.18 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.268 -0.424 . . . . 74.120000000000005 111.222 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 48.5 mtp180 -58.92 -37.38 76.52 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.011 0.434 . . . . 63.340000000000003 110.733 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 t -61.8 -30.17 70.64 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.003 -0.544 . . . . 62.450000000000003 111.812 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -106.05 29.75 6.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.195 0.442 . . . . 73.439999999999998 112.195 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 67.41 6.8 5.12 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.692 0.627 . . . . 71.25 112.692 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.2 mt -91.79 11.63 24.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.719 -0.613 . . . . 44.130000000000003 111.815 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.93 -14.53 70.69 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.963 -0.637 . . . . 41.439999999999998 113.408 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.7 m -93.59 11.24 29.47 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.354 0.502 . . . . 73.150000000000006 112.354 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.61 -35.4 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.374 0.509 . . . . 74.430000000000007 112.374 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.82 -24.09 74.2 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.024 -0.607 . . . . 53.520000000000003 113.152 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.1 m -85.92 -49.9 7.5 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.813 0.34 . . . . 71.230000000000004 111.282 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.46 -21.43 62.79 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.994 0.368 . . . . 65.129999999999995 111.994 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.79 65.86 1.28 Allowed Glycine 0 CA--C 1.525 0.704 0 C-N-CA 121.123 -0.56 . . . . 54.329999999999998 112.76 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.05 10.5 6.95 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.239 0.829 . . . . 52.32 113.239 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.6 -41.27 85.43 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.812 -0.555 . . . . 73.329999999999998 111.768 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -93.0 13.09 21.77 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.255 -0.43 . . . . 74.049999999999997 111.305 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -106.99 150.33 26.6 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.423 -0.353 . . . . 74.209999999999994 110.927 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 50.5 m -73.52 150.63 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.224 0.453 . . . . 70.340000000000003 112.224 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.02 -49.0 61.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.78 0.659 . . . . 65.140000000000001 112.78 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 34.2 tt0 -59.69 -40.99 89.69 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.975 0.361 . . . . 75.439999999999998 111.975 -178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -60.84 -57.05 14.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.649 0.261 . . . . 64.230000000000004 111.279 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.87 -37.31 84.07 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.162 -0.542 . . . . 65.109999999999999 112.949 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.96 73.72 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.92 0.391 . . . . 63.130000000000003 111.133 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.24 -38.16 82.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.442 -0.344 . . . . 65.129999999999995 111.327 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.99 82.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.099 0.476 . . . . 43.310000000000002 111.56 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -91.37 6.49 45.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.45 -0.341 . . . . 73.200000000000003 111.854 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.91 53.19 39.11 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.546 -0.359 . . . . 63.219999999999999 113.12 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.1 mt -123.56 151.52 42.81 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.257 0.465 . . . . 55.350000000000001 112.257 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -82.45 101.5 10.71 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.199 -0.455 . . . . 65.329999999999998 110.351 173.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 p -57.83 -31.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.075 0.398 . . . . 55.130000000000003 112.075 -177.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.91 -47.97 81.25 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.013 0.435 . . . . 62.299999999999997 111.73 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -66.07 -30.26 70.74 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.313 0.577 . . . . 75.439999999999998 110.825 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.62 -48.59 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.904 -0.589 . . . . 74.140000000000001 110.815 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 99.0 mt -55.39 -36.95 66.96 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.207 -0.451 . . . . 73.219999999999999 111.72 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.72 -56.36 16.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.227 0.537 . . . . 74.120000000000005 111.125 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.33 -33.27 74.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.846 -0.615 . . . . 71.140000000000001 111.113 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.69 -52.17 61.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.389 -0.369 . . . . 74.329999999999998 111.738 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -64.9 -30.46 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.795 0.331 . . . . 71.299999999999997 111.337 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.93 67.46 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.836 0.351 . . . . 74.420000000000002 111.772 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.458 HD11 HG21 ' A' ' 24' ' ' VAL . 85.4 mt -69.9 -30.28 67.66 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.083 0.468 . . . . 73.439999999999998 111.468 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.422 0 CA-C-N 116.146 -0.479 . . . . 65.25 111.606 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.498 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 87.0 m-85 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 109.749 -0.463 . . . . 74.430000000000007 109.749 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.559 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -128.59 165.66 20.36 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.082 0.468 . . . . 75.310000000000002 112.175 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -61.33 -24.05 66.17 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.264 -0.426 . . . . 71.310000000000002 111.894 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.46 -44.15 91.99 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.684 0.624 . . . . 74.340000000000003 112.684 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.3 ptm -71.37 151.67 43.88 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.224 0.535 . . . . 70.430000000000007 112.18 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 58.0 p -78.6 158.83 28.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.099 -0.5 . . . . 75.319999999999993 112.17 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 90.5 m-85 -54.09 -46.84 72.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.2 -0.454 . . . . 74.319999999999993 111.616 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.76 82.02 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 72.200000000000003 111.988 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.77 -40.23 94.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.498 -0.319 . . . . 72.400000000000006 111.555 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.76 85.82 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.954 0.407 . . . . 71.400000000000006 111.078 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 86.4 mt -59.17 -41.35 88.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.116 -0.493 . . . . 73.109999999999999 111.397 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -69.43 -27.82 65.6 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.821 0.343 . . . . 74.129999999999995 111.815 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.6 m -72.42 -42.42 65.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.901 0.382 . . . . 52.049999999999997 110.922 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -149.53 112.28 3.44 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 116.252 -0.431 . . . . 74.230000000000004 111.319 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.19 -30.39 25.56 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.666 2.244 . . . . 64.239999999999995 113.167 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -26.99 66.73 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.532 -0.366 . . . . 22.100000000000001 113.217 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.449 HG13 HD22 ' A' ' 61' ' ' LEU . 69.3 t -55.72 -36.05 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.813 0.339 . . . . 70.349999999999994 111.259 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -54.87 -48.8 72.49 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.483 -0.326 . . . . 64.530000000000001 111.395 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.06 98.34 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 121.242 -0.504 . . . . 75.519999999999996 112.968 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.86 -52.44 60.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.959 0.409 . . . . 73.519999999999996 111.127 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD12 HD21 ' A' ' 15' ' ' LEU . 89.0 mt -58.02 -50.07 74.68 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.356 -0.384 . . . . 61.210000000000001 111.488 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 19.9 mtp180 -60.78 -37.2 81.09 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.901 0.381 . . . . 73.040000000000006 111.225 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -62.8 -37.75 87.96 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.9 0.381 . . . . 74.439999999999998 111.01 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -88.96 30.1 0.97 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.309 0.485 . . . . 54.299999999999997 112.309 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 66.04 16.15 10.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.223 0.453 . . . . 75.420000000000002 112.223 173.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 33' ' ' ILE . 88.2 mt -100.47 18.16 19.76 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.808 -0.558 . . . . 75.400000000000006 111.932 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.27 72.16 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 121.258 -0.496 . . . . 72.409999999999997 113.92 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.14 -9.96 58.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.906 0.706 . . . . 74.129999999999995 112.906 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 30' ' ' LEU . 32.7 pt -51.27 -31.52 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.666 0.617 . . . . 73.329999999999998 112.666 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.47 67.6 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 121.233 -0.508 . . . . 71.209999999999994 113.09 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.13 -48.47 8.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.555 -0.38 . . . . 61.229999999999997 111.787 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 ptm -75.8 13.97 0.74 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 112.921 0.712 . . . . 63.130000000000003 112.921 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.53 5.67 64.21 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 121.219 -0.515 . . . . 54.420000000000002 114.053 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.47 -4.45 11.39 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 117.157 0.479 . . . . 72.219999999999999 112.265 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.43 -36.96 62.1 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.988 0.423 . . . . 73.140000000000001 111.065 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -92.65 13.94 18.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.973 -0.558 . . . . 62.009999999999998 111.647 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -115.1 151.01 35.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.825 0.345 . . . . 73.239999999999995 111.429 -176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.57 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 71.2 m -72.49 152.33 41.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.079 0.466 . . . . 60.109999999999999 112.052 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 6' ' ' THR . 85.8 mt -52.57 -48.23 66.34 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.464 0.913 . . . . 64.109999999999999 113.464 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.5 tt0 -68.17 -40.4 82.31 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.127 0.417 . . . . 75.519999999999996 112.127 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -55.31 -50.43 69.6 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.057 0.456 . . . . 73.200000000000003 110.81 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.46 91.39 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.195 -0.526 . . . . 72.420000000000002 112.814 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 122.579 -0.365 . . . . 63.049999999999997 111.079 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -58.34 -36.84 74.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.765 0.317 . . . . 74.120000000000005 111.522 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.06 70.6 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.978 0.418 . . . . 62.43 111.689 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -106.28 8.82 32.04 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.003 0.372 . . . . 62.399999999999999 112.003 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.11 40.36 99.1 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 121.63 -0.319 . . . . 72.040000000000006 113.818 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.8 163.44 15.85 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.2 0.524 . . . . 72.040000000000006 111.729 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -94.05 113.42 25.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.957 -0.565 . . . . 44.43 110.428 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.7 p -57.53 -33.9 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 116.491 -0.322 . . . . 52.409999999999997 111.839 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.4 -31.82 72.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.246 0.461 . . . . 64.420000000000002 112.246 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 17.0 t70 -70.88 -35.45 72.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.262 0.553 . . . . 74.209999999999994 109.895 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 55.8 mt -69.84 -49.93 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.989 -0.55 . . . . 72.239999999999995 110.95 175.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 85.8 mt -54.67 -33.34 60.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.323 -0.399 . . . . 63.340000000000003 111.275 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 17.9 ttp-105 -50.98 -53.82 29.78 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.995 -0.548 . . . . 73.040000000000006 110.734 175.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -39.3 66.78 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.819 -0.628 . . . . 70.349999999999994 111.156 -177.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.472 HD12 HD23 ' A' ' 58' ' ' LEU . 76.7 mt -57.49 -51.09 70.87 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.417 -0.356 . . . . 72.200000000000003 111.824 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.13 -28.42 65.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.997 0.427 . . . . 74.409999999999997 110.683 176.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 -16.64 63.97 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.511 -0.313 . . . . 73.230000000000004 111.83 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.48 -29.51 67.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.203 0.525 . . . . 74.209999999999994 110.722 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.584 0 CA-C-N 116.05 -0.523 . . . . 54.43 111.903 -179.138 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.465 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.5 m-85 . . . . . 0 CA--C 1.537 0.448 0 CA-C-O 120.871 0.367 . . . . 75.439999999999998 111.262 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.0 t -112.21 170.65 8.02 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.266 0.555 . . . . 63.420000000000002 111.976 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.7 ptpt -83.37 -11.67 57.37 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 111.829 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.54 -25.66 19.13 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.039 0.385 . . . . 74.140000000000001 112.039 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.2 ptm -69.97 150.3 46.84 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.873 0.368 . . . . 71.319999999999993 111.455 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.6 p -77.88 159.22 29.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.884 0.373 . . . . 71.519999999999996 111.908 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -55.9 -40.26 72.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.301 -0.408 . . . . 72.150000000000006 110.979 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.68 -47.97 72.99 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.101 -0.499 . . . . 62.009999999999998 111.743 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.443 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 78.1 mt-30 -57.78 -54.1 50.66 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.986 0.422 . . . . 65.530000000000001 111.153 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.24 71.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.108 -0.496 . . . . 71.439999999999998 112.024 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 25' ' ' LEU . 95.2 mt -59.54 -30.98 68.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.25 0.463 . . . . 72.25 112.25 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -87.74 -20.27 26.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 111.929 0.344 . . . . 72.439999999999998 111.929 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.5 m -72.13 -59.21 2.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.142 0.496 . . . . 73.540000000000006 110.831 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -130.23 123.77 20.87 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 122.235 -0.29 . . . . 62.219999999999999 110.78 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.7 -30.6 56.96 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.95 2.433 . . . . 61.219999999999999 113.282 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.4 -24.1 67.24 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 121.597 -0.335 . . . . 42.32 113.818 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.21 -36.15 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.834 0.317 . . . . 73.239999999999995 111.655 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -57.92 -46.81 84.44 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.871 0.367 . . . . 42.439999999999998 111.216 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.04 96.79 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.163 -0.542 . . . . 64.150000000000006 112.468 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.41 -52.96 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-O 121.06 0.457 . . . . 72.530000000000001 111.407 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 15' ' ' LEU . 86.0 mt -56.65 -45.0 81.89 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.797 0.295 . . . . 72.310000000000002 111.797 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 42.5 mtp180 -63.15 -31.05 72.09 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.799 0.333 . . . . 64.209999999999994 111.267 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -69.61 -42.59 74.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.869 0.366 . . . . 63.409999999999997 111.486 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -82.8 0.7 42.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.148 0.425 . . . . 74.409999999999997 112.148 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.1 t30 69.96 61.67 0.25 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.669 0.747 . . . . 54.340000000000003 111.57 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 33' ' ' ILE . 81.5 mt -132.02 5.98 4.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.278 -0.874 . . . . 72.239999999999995 110.964 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.33 -17.63 62.03 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.224 -0.512 . . . . 53.140000000000001 113.299 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 36' ' ' MET . 58.1 m -66.14 -9.94 36.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.33 0.492 . . . . 72.340000000000003 112.33 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 30' ' ' LEU . 16.7 pt -51.69 -45.08 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.798 0.666 . . . . 63.329999999999998 112.798 -178.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -46.95 93.35 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.623 -0.798 . . . . 62.109999999999999 112.708 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.12 -42.79 99.58 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.074 0.398 . . . . 72.129999999999995 112.074 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.8 ptm -87.09 1.37 53.17 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.249 0.462 . . . . 73.120000000000005 112.249 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.51 28.89 72.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 121.284 -0.484 . . . . 22.140000000000001 113.578 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.17 15.49 5.14 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.547 0.573 . . . . 71.230000000000004 112.547 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -59.04 -35.62 73.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.228 0.537 . . . . 73.209999999999994 111.522 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -79.87 -5.56 55.74 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.823 -0.626 . . . . 73.420000000000002 111.997 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -91.56 148.9 21.95 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.36 -0.382 . . . . 62.039999999999999 111.072 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.3 p -78.06 155.14 30.78 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.038 0.447 . . . . 73.319999999999993 112.056 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 6' ' ' THR . 86.6 mt -53.06 -44.11 67.2 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.285 0.476 . . . . 65.140000000000001 112.285 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 36.4 tt0 -69.11 -49.51 56.47 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.174 0.435 . . . . 75.420000000000002 112.174 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.7 -39.29 90.97 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.911 0.386 . . . . 75.299999999999997 110.77 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.0 -42.98 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.974 -0.632 . . . . 32.100000000000001 112.954 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.65 -58.29 8.11 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.62 -0.341 . . . . 63.229999999999997 111.084 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -61.32 -34.55 75.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.526 -0.306 . . . . 62.210000000000001 111.786 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.94 64.02 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.809 0.338 . . . . 52.32 111.639 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -105.41 -7.44 18.77 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.714 0.293 . . . . 70.129999999999995 111.69 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.76 37.28 6.14 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 121.432 -0.413 . . . . 44.450000000000003 113.84 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 HD21 ' A' ' 30' ' ' LEU . 82.6 mt -123.73 151.22 43.46 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.416 -0.461 . . . . 74.109999999999999 111.532 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.403 HD21 ' HB2' ' A' ' 55' ' ' GLU . 32.1 t30 -88.9 118.73 28.82 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.917 0.389 . . . . 74.319999999999993 110.966 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.431 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 13.8 p -61.42 -32.85 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.333 0.494 . . . . 70.450000000000003 112.333 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 53' ' ' ASN . 6.9 mm-40 -54.9 -47.62 74.09 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.096 0.474 . . . . 72.150000000000006 111.462 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.814 -0.63 . . . . 65.540000000000006 111.23 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.57 -47.32 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.962 -0.563 . . . . 71.430000000000007 111.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.404 HD23 HD12 ' A' ' 61' ' ' LEU . 91.7 mt -55.52 -34.15 64.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.777 0.322 . . . . 62.109999999999999 111.828 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -56.78 -49.97 73.71 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.39 -0.368 . . . . 72.420000000000002 111.318 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.96 -34.04 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.986 0.422 . . . . 64.230000000000004 111.207 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 58' ' ' LEU . 82.8 mt -63.05 -52.09 64.19 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.09 0.404 . . . . 75.340000000000003 112.09 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -67.25 -25.64 66.17 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 111.756 0.28 . . . . 72.200000000000003 111.756 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.85 -30.17 67.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.872 0.368 . . . . 52.219999999999999 111.094 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.71 -16.64 64.24 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.119 -0.491 . . . . 73.420000000000002 111.701 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 120.911 0.386 . . . . 62.149999999999999 111.46 177.744 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.647 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 70.8 m-85 . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 120.827 0.346 . . . . 72.310000000000002 110.21 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.6 t -123.1 161.5 24.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.214 -0.448 . . . . 71.5 111.94 -177.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -62.75 -24.85 67.9 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.988 0.366 . . . . 44.310000000000002 111.988 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -81.21 -24.88 37.15 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.823 0.675 . . . . 71.0 112.823 -173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.647 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.9 ptm -78.12 152.33 32.88 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.037 -0.414 . . . . 75.540000000000006 111.524 -176.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.2 p -74.96 156.26 36.5 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.163 0.506 . . . . 52.340000000000003 112.302 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -56.15 -41.11 74.89 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 111.27 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.81 81.1 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.157 -0.474 . . . . 53.310000000000002 111.585 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.81 -43.26 98.4 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.901 0.381 . . . . 72.150000000000006 111.333 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.502 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.27 -49.27 76.6 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.369 -0.378 . . . . 73.140000000000001 111.524 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.921 0.341 . . . . 72.349999999999994 111.921 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -72.7 -35.23 67.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.143 0.497 . . . . 72.430000000000007 111.516 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.4 m -68.52 -42.21 78.83 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.319 -0.4 . . . . 70.219999999999999 111.868 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -154.2 122.56 3.02 Favored Pre-proline 0 N--CA 1.473 0.69 0 CA-C-O 120.702 0.287 . . . . 74.420000000000002 111.754 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.78 -33.59 88.46 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.8 2.333 . . . . 64.439999999999998 112.906 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.63 -21.23 34.7 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.427 -0.416 . . . . 71.030000000000001 113.513 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.502 HG11 ' HB1' ' A' ' 14' ' ' ALA . 89.8 t -60.85 -35.05 61.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 120.703 0.287 . . . . 62.210000000000001 111.096 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.59 79.62 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.499 -0.318 . . . . 71.519999999999996 111.343 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.8 -42.03 99.7 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.148 -0.548 . . . . 44.310000000000002 112.733 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.27 -53.13 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.937 0.399 . . . . 51.5 111.078 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.08 -50.84 71.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 111.584 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -56.95 -44.92 83.06 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 111.752 0.279 . . . . 64.319999999999993 111.752 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -59.28 -34.28 72.08 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.113 0.483 . . . . 72.519999999999996 111.323 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' O ' HD11 ' A' ' 52' ' ' LEU . 7.2 m-85 -90.57 12.41 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.626 0.602 . . . . 72.340000000000003 112.626 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 69.95 22.49 5.81 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 121.61 0.719 . . . . 60.200000000000003 111.502 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 33' ' ' ILE . 80.9 mt -101.21 -2.33 31.55 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.962 -0.462 . . . . 74.219999999999999 111.955 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.14 58.87 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.891 -0.671 . . . . 73.200000000000003 113.195 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.05 -1.31 14.24 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.651 0.611 . . . . 64.430000000000007 112.651 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 30' ' ' LEU . 14.2 pt -49.82 -38.45 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.167 0.432 . . . . 70.120000000000005 112.167 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.88 -47.41 83.21 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.019 -0.61 . . . . 72.019999999999996 112.523 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.64 -35.23 79.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.182 0.438 . . . . 71.140000000000001 112.182 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 ptm -88.8 -6.38 57.42 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.196 -0.315 . . . . 72.409999999999997 111.501 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.94 23.5 69.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.281 0.473 . . . . 55.149999999999999 114.281 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 24.07 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.451 0.537 . . . . 52.520000000000003 112.451 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.14 -43.73 98.18 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.258 0.466 . . . . 72.329999999999998 112.258 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -90.23 13.87 14.12 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.924 0.342 . . . . 52.229999999999997 111.924 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.82 145.94 29.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.881 0.372 . . . . 73.200000000000003 111.136 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 151.3 47.07 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.148 0.499 . . . . 55.539999999999999 112.233 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 6' ' ' THR . 90.0 mt -52.43 -45.55 66.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.063 0.764 . . . . 72.150000000000006 113.063 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.728 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.2 tt0 -63.5 -44.14 95.2 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.094 0.405 . . . . 71.310000000000002 112.094 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.23 -51.71 68.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.692 0.282 . . . . 74.439999999999998 111.229 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.82 93.83 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 121.154 -0.546 . . . . 71.099999999999994 112.88 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.88 52.47 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.726 0.298 . . . . 72.540000000000006 111.131 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -63.29 -33.84 76.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.577 0.227 . . . . 74.040000000000006 111.458 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.31 -28.51 68.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.008 0.432 . . . . 52.039999999999999 111.322 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -103.62 -1.35 28.33 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.454 -0.339 . . . . 75.5 111.835 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.79 57.38 4.15 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.654 -0.308 . . . . 70.239999999999995 113.801 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 28' ' ' TYR . 59.5 mt -131.72 165.65 23.26 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.571 -0.37 . . . . 62.539999999999999 111.683 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -94.46 112.13 23.9 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.732 -0.469 . . . . 72.239999999999995 109.732 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.1 p -59.02 -35.26 56.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 N-CA-C 111.904 0.335 . . . . 74.230000000000004 111.904 -178.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.41 -45.23 95.18 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.905 0.383 . . . . 74.040000000000006 111.579 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 15.7 t70 -62.48 -35.84 80.62 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.934 0.397 . . . . 61.310000000000002 110.8 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.0 mt -67.23 -51.12 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.068 -0.514 . . . . 73.310000000000002 110.857 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 89.2 mt -55.91 -32.97 64.24 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.052 -0.522 . . . . 73.310000000000002 111.274 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 7.0 ttp85 -51.44 -54.53 25.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.218 -0.446 . . . . 71.450000000000003 111.392 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -70.73 -43.08 69.65 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.27 -0.423 . . . . 75.510000000000005 110.917 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG22 ' A' ' 21' ' ' VAL . 81.0 mt -56.46 -51.33 68.85 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.174 0.435 . . . . 72.319999999999993 112.174 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -69.56 -26.76 64.64 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.997 0.427 . . . . 73.400000000000006 110.987 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.36 69.5 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.562 -0.29 . . . . 44.210000000000001 111.139 175.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.9 -28.54 69.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.994 0.426 . . . . 70.109999999999999 111.172 174.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.488 0 CA-C-N 116.181 -0.463 . . . . 61.310000000000002 111.599 179.193 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.584 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.3 m-85 . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.17 0.51 . . . . 65.019999999999996 111.505 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 9' ' ' MET . 6.3 t -139.95 165.3 27.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.179 -0.464 . . . . 61.109999999999999 111.516 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -64.96 -24.69 67.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.367 -0.379 . . . . 70.239999999999995 111.848 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.64 -43.37 89.7 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.135 -0.484 . . . . 74.219999999999999 112.026 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.8 ptm -74.4 154.04 38.98 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.17 0.51 . . . . 64.5 111.645 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 37.3 p -82.83 162.63 21.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.092 0.472 . . . . 74.519999999999996 112.161 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HE2' HD13 ' A' ' 30' ' ' LEU . 86.9 m-85 -55.14 -43.34 74.08 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.147 -0.479 . . . . 71.099999999999994 111.514 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.82 79.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.869 0.366 . . . . 54.43 111.512 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 78.1 mt-30 -57.99 -46.77 84.69 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.311 -0.404 . . . . 72.200000000000003 111.119 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.75 -49.61 76.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.826 0.346 . . . . 51.439999999999998 111.394 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.78 -35.58 78.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.168 -0.469 . . . . 65.409999999999997 111.841 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -76.22 -25.09 54.75 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.94 0.348 . . . . 75.409999999999997 111.94 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -73.05 -52.94 12.44 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.572 0.225 . . . . 61.530000000000001 110.94 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.6 m-70 -145.85 134.11 10.74 Favored Pre-proline 0 N--CA 1.474 0.738 0 CA-C-O 120.681 0.277 . . . . 74.319999999999993 111.286 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 38.3 Cg_exo -60.82 -34.22 91.74 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.959 2.44 . . . . 75.129999999999995 113.641 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.86 -22.77 35.34 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 114.096 0.399 . . . . 72.030000000000001 114.096 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 89.9 t -54.71 -37.4 39.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.865 0.364 . . . . 65.530000000000001 111.717 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.44 76.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.975 0.416 . . . . 52.439999999999998 111.617 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.78 94.47 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.274 -0.489 . . . . 62.399999999999999 112.413 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.49 -46.66 96.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 120.973 0.416 . . . . 73.0 111.313 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 33' ' ' ILE . 91.5 mt -57.47 -53.08 62.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.308 -0.405 . . . . 75.109999999999999 110.945 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -57.37 -39.06 75.23 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.948 0.404 . . . . 72.430000000000007 111.359 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t -61.25 -30.52 70.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.594 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.408 ' O ' HD11 ' A' ' 52' ' ' LEU . 49.9 m-85 -107.52 36.13 2.83 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.734 0.642 . . . . 74.519999999999996 112.734 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 66.0 9.44 6.17 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 112.512 0.56 . . . . 62.32 112.512 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.3 mt -94.41 23.74 5.0 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.74 -0.6 . . . . 54.409999999999997 111.451 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.36 -5.16 87.59 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.783 -0.722 . . . . 73.25 112.96 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 44.4 t -100.66 15.03 29.53 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.937 0.398 . . . . 74.439999999999998 111.625 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -56.58 -35.55 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.336 0.495 . . . . 71.439999999999998 112.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.88 -33.83 85.25 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.054 -0.594 . . . . 74.400000000000006 113.18 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 52.2 t -77.54 -33.34 54.22 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.546 -0.385 . . . . 54.310000000000002 111.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.7 ptm -91.2 6.1 46.44 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.26 0.467 . . . . 72.120000000000005 112.26 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.63 26.86 71.23 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.177 -0.535 . . . . 60.149999999999999 113.531 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.11 2.11 13.82 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.902 0.704 . . . . 61.509999999999998 112.902 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.47 -45.48 80.88 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.927 -0.483 . . . . 61.200000000000003 111.313 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -91.97 18.17 8.27 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 111.277 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -113.83 144.0 43.73 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.249 -0.432 . . . . 74.519999999999996 111.147 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 68.4 m -69.73 149.82 47.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.872 0.368 . . . . 74.030000000000001 111.753 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 6' ' ' THR . 94.2 mt -52.91 -43.71 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.921 0.711 . . . . 73.019999999999996 112.921 -176.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.712 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.3 tt0 -63.88 -48.89 74.88 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.799 0.333 . . . . 75.409999999999997 111.666 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -57.21 -40.07 76.71 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.772 0.32 . . . . 63.140000000000001 111.729 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.36 64.44 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.176 -0.535 . . . . 71.150000000000006 112.69 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.36 -55.12 37.4 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.924 0.393 . . . . 64.420000000000002 111.769 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -62.32 -31.6 72.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.722 0.296 . . . . 64.510000000000005 111.778 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.42 68.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.125 0.488 . . . . 43.020000000000003 111.23 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -105.91 16.29 25.35 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.185 -0.461 . . . . 64.109999999999999 111.364 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.38 39.72 96.58 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 116.457 -0.338 . . . . 33.340000000000003 113.806 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 28' ' ' TYR . 60.0 mt -106.62 168.44 9.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.419 0.628 . . . . 72.439999999999998 112.443 -176.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -102.1 102.29 12.75 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.489 -0.778 . . . . 61.140000000000001 110.406 174.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.0 p -56.32 -34.17 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 112.554 0.576 . . . . 63.43 112.554 -176.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -59.99 -37.96 81.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.813 0.34 . . . . 72.340000000000003 111.835 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 9.7 t70 -74.05 -41.34 61.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.886 0.374 . . . . 74.129999999999995 110.454 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.5 mt -55.73 -48.63 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 116.286 -0.416 . . . . 53.409999999999997 111.055 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 71.9 mt -58.94 -37.98 77.97 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.881 0.372 . . . . 74.439999999999998 111.074 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 13.2 ttp180 -55.89 -51.56 67.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.204 -0.453 . . . . 75.450000000000003 111.25 176.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.78 -32.85 68.07 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.186 -0.461 . . . . 40.299999999999997 111.364 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.3 -52.38 47.92 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.52 0.563 . . . . 53.420000000000002 112.52 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -65.67 -25.02 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.906 -0.496 . . . . 63.100000000000001 111.29 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.13 65.29 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.381 -0.372 . . . . 64.329999999999998 111.508 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.56 -30.77 71.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.878 0.37 . . . . 70.219999999999999 111.585 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 120.951 0.405 . . . . 73.409999999999997 111.441 179.409 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.778 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 94.0 m-85 . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 109.523 -0.547 . . . . 72.150000000000006 109.523 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.0 t -112.8 173.81 6.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.267 0.556 . . . . 72.209999999999994 112.217 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -71.53 -27.13 62.98 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.155 -0.475 . . . . 64.109999999999999 111.368 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.04 -33.54 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.652 -0.704 . . . . 71.230000000000004 112.396 -175.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.778 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.5 ptm -71.46 152.71 42.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.118 0.485 . . . . 73.349999999999994 111.652 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 69.6 p -86.36 162.07 18.38 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.326 0.491 . . . . 74.230000000000004 112.326 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -57.43 -40.59 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.169 -0.469 . . . . 72.439999999999998 111.241 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.76 77.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.818 0.342 . . . . 45.240000000000002 111.265 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.96 -47.18 83.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.377 -0.374 . . . . 72.209999999999994 111.299 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -58.9 -52.37 66.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.776 0.322 . . . . 53.130000000000003 111.786 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.05 -39.97 75.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.087 0.403 . . . . 71.040000000000006 112.087 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -76.62 -33.7 58.36 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.576 0.584 . . . . 62.329999999999998 112.576 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -58.28 -51.25 70.58 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.816 0.341 . . . . 73.120000000000005 111.425 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.2 m-70 -141.39 135.05 14.67 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.554 -0.294 . . . . 61.210000000000001 111.623 178.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 31.4 Cg_exo -58.61 -45.73 28.07 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.905 2.403 . . . . 61.039999999999999 113.287 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.18 -14.75 27.0 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 114.475 0.55 . . . . 75.519999999999996 114.475 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 14' ' ' ALA . 83.9 t -56.26 -36.1 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 117.156 0.478 . . . . 50.240000000000002 111.785 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.89 74.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.002 0.429 . . . . 73.420000000000002 111.349 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.03 -37.5 92.84 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 121.295 -0.479 . . . . 60.350000000000001 113.099 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 64' ' ' LEU . 82.7 t -63.94 -55.2 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 120.927 0.394 . . . . 65.120000000000005 111.234 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.79 -48.03 70.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.901 0.382 . . . . 74.049999999999997 111.399 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -60.39 -37.91 82.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.903 0.382 . . . . 54.329999999999998 111.459 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -61.04 -33.8 73.86 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.911 0.386 . . . . 71.230000000000004 111.736 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -97.06 5.87 49.58 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.748 0.647 . . . . 72.430000000000007 112.748 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 75.08 54.54 0.07 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.742 0.782 . . . . 75.400000000000006 111.171 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' ILE . 85.5 mt -130.3 14.46 5.6 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.713 -0.676 . . . . 73.400000000000006 110.839 172.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -16.24 76.56 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.001 -0.619 . . . . 55.039999999999999 112.858 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' MET . 64.0 m -72.6 -5.45 37.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.332 0.493 . . . . 74.450000000000003 112.332 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 30' ' ' LEU . 25.6 pt -54.71 -26.02 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 112.696 0.628 . . . . 72.329999999999998 112.696 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.8 -48.14 10.67 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.647 -0.787 . . . . 73.439999999999998 112.301 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.72 -42.83 81.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.097 0.406 . . . . 52.140000000000001 112.097 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 20.7 ptm -84.35 -5.42 59.27 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.01 0.374 . . . . 70.239999999999995 112.01 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 50.6 41.73 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.182 -0.532 . . . . 52.299999999999997 113.714 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.19 21.97 14.04 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.423 -0.457 . . . . 62.420000000000002 111.873 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -62.93 -47.1 84.68 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.052 0.39 . . . . 64.099999999999994 112.052 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -83.76 6.23 21.95 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.324 -0.398 . . . . 72.200000000000003 111.559 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -96.09 147.44 23.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.74 0.305 . . . . 72.140000000000001 111.231 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 53.1 m -71.37 149.67 45.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.839 0.352 . . . . 73.450000000000003 111.677 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.18 -43.91 64.39 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.115 -0.493 . . . . 70.439999999999998 112.267 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.7 tt0 -59.88 -46.6 88.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.029 0.443 . . . . 75.319999999999993 111.834 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -62.49 -41.27 98.7 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.231 -0.441 . . . . 63.399999999999999 111.333 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.26 -39.21 82.27 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.158 -0.544 . . . . 61.009999999999998 112.901 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -55.76 30.24 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.045 0.45 . . . . 53.200000000000003 111.223 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -60.23 -29.63 68.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.305 -0.407 . . . . 74.040000000000006 111.751 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.9 74.73 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.824 0.345 . . . . 63.210000000000001 111.865 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -104.56 11.26 34.49 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 111.706 0.261 . . . . 62.219999999999999 111.706 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.61 50.54 48.14 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.428 -0.415 . . . . 14.300000000000001 113.282 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.2 mt -124.46 143.64 50.53 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.847 0.356 . . . . 74.219999999999999 111.764 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -74.84 114.98 13.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.71 0.291 . . . . 74.439999999999998 110.441 173.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 p -56.43 -35.3 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.135 0.42 . . . . 62.409999999999997 112.135 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.59 -50.05 75.22 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.908 0.385 . . . . 64.129999999999995 111.84 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.35 -37.29 86.99 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.93 0.395 . . . . 75.349999999999994 111.281 -176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD13 HD11 ' A' ' 30' ' ' LEU . 60.6 mt -65.76 -53.05 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.964 0.411 . . . . 61.039999999999999 111.158 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 86.2 mt -55.39 -34.48 64.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.407 -0.36 . . . . 71.120000000000005 111.61 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -52.99 -55.59 22.39 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.286 -0.415 . . . . 73.109999999999999 111.633 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.81 -32.92 71.62 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.86 0.362 . . . . 63.350000000000001 111.362 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.43 -51.49 67.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.817 0.342 . . . . 71.129999999999995 111.713 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 45.8 m-80 -66.49 -27.99 68.22 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 122.079 -0.388 . . . . 73.519999999999996 111.298 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -25.37 67.67 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.715 0.293 . . . . 52.439999999999998 111.351 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 24' ' ' VAL . 92.9 mt -68.01 -31.71 71.59 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.152 0.501 . . . . 63.229999999999997 110.979 173.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 116.042 -0.526 . . . . 53.450000000000003 111.666 178.343 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.62 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.9 m-85 . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 120.875 0.369 . . . . 73.310000000000002 111.503 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.516 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -122.28 167.25 13.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.122 -0.49 . . . . 62.25 111.605 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.705 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -69.78 -25.04 63.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.909 0.385 . . . . 64.329999999999998 111.601 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -80.06 -31.88 39.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.91 -0.587 . . . . 74.219999999999999 112.341 -173.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 26.0 ptm -69.85 158.8 34.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.137 0.494 . . . . 71.310000000000002 112.084 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 22.2 p -84.22 156.65 21.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 112.131 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -55.0 -43.58 73.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.385 -0.37 . . . . 70.400000000000006 111.814 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -55.68 -51.22 67.99 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.775 0.321 . . . . 74.329999999999998 111.545 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 75.8 mt-30 -56.06 -46.2 79.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.319 -0.401 . . . . 53.439999999999998 111.349 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.97 -48.26 82.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.337 -0.392 . . . . 72.230000000000004 111.422 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 25' ' ' LEU . 96.3 mt -59.72 -34.07 72.44 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.175 -0.466 . . . . 75.25 112.015 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 23.5 mm-40 -76.46 -37.57 56.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.835 0.35 . . . . 65.109999999999999 111.236 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -58.5 -51.52 69.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.23 -0.441 . . . . 71.019999999999996 111.717 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -145.89 142.59 18.03 Favored Pre-proline 0 N--CA 1.472 0.636 0 CA-C-O 120.773 0.32 . . . . 55.240000000000002 111.201 175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.66 -23.57 14.46 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.707 2.272 . . . . 62.409999999999997 113.249 -175.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -24.74 64.84 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.139 -0.553 . . . . 55.5 113.021 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 59.3 t -55.29 -39.94 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 120.749 0.309 . . . . 72.530000000000001 111.3 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.61 76.16 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.828 0.347 . . . . 71.230000000000004 111.395 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.87 -38.34 93.91 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.235 -0.507 . . . . 74.120000000000005 112.769 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.96 -51.17 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 122.57 -0.371 . . . . 70.150000000000006 111.407 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD12 HD21 ' A' ' 15' ' ' LEU . 83.0 mt -56.8 -46.05 81.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.823 0.344 . . . . 71.439999999999998 111.394 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -61.41 -34.96 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.003 0.43 . . . . 65.030000000000001 111.234 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -69.54 -34.05 73.67 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.153 0.501 . . . . 72.200000000000003 111.477 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -95.92 31.88 2.01 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 111.855 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.84 -8.94 0.6 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.958 0.725 . . . . 72.530000000000001 112.958 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 33' ' ' ILE . 89.4 mt -78.54 3.63 15.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.839 -0.538 . . . . 74.420000000000002 111.964 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.19 -11.86 34.88 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 121.27 -0.491 . . . . 65.239999999999995 113.779 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.0 m -90.06 8.93 30.14 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.491 0.552 . . . . 51.329999999999998 112.491 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 30' ' ' LEU . 18.0 pt -56.29 -33.73 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 112.196 0.443 . . . . 65.400000000000006 112.196 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.16 -48.62 73.17 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.911 -0.661 . . . . 61.329999999999998 112.882 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.32 -42.32 91.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.941 0.348 . . . . 61.340000000000003 111.941 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -83.51 -6.51 59.47 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.814 0.34 . . . . 71.040000000000006 111.717 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.54 25.82 75.12 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 121.606 -0.33 . . . . 74.340000000000003 113.813 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.74 54.17 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.267 0.556 . . . . 72.140000000000001 111.672 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -84.35 -42.93 15.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.263 -0.426 . . . . 72.129999999999995 111.124 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.64 -7.14 58.58 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.159 -0.473 . . . . 44.340000000000003 111.302 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.42 142.64 40.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.431 -0.35 . . . . 73.019999999999996 110.694 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 32.7 m -73.57 150.64 41.32 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.866 0.321 . . . . 63.049999999999997 111.866 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 6' ' ' THR . 82.9 mt -51.82 -43.74 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.359 0.503 . . . . 72.109999999999999 112.359 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.705 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.0 tt0 -62.4 -48.53 79.34 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.802 0.334 . . . . 74.129999999999995 111.515 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -55.04 -53.0 61.42 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.268 -0.424 . . . . 70.019999999999996 111.286 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.0 -38.28 96.35 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 121.204 -0.522 . . . . 42.520000000000003 113.263 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.47 -56.14 25.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.973 0.416 . . . . 74.530000000000001 111.326 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -63.04 -29.68 71.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.386 -0.37 . . . . 72.439999999999998 111.624 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.04 76.84 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.879 0.371 . . . . 61.109999999999999 111.599 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -98.01 6.88 47.14 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.298 0.481 . . . . 75.430000000000007 112.298 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 31.76 33.94 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.03 -0.605 . . . . 73.109999999999999 114.384 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.4 mt -127.6 166.23 18.43 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.479 -0.424 . . . . 74.329999999999998 110.928 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -101.57 132.67 47.09 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 73.239999999999995 110.453 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.555 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 12.4 p -61.87 -32.04 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.912 0.708 . . . . 75.540000000000006 112.912 -173.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.7 -46.33 88.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.597 0.591 . . . . 73.540000000000006 112.597 -174.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -56.77 -42.02 78.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.232 0.539 . . . . 73.310000000000002 110.907 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.12 -49.57 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.08 -0.509 . . . . 75.040000000000006 110.907 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' HG ' HG22 ' A' ' 54' ' ' VAL . 92.7 mt -56.38 -38.44 71.47 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.506 -0.315 . . . . 63.109999999999999 111.406 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.04 -48.01 71.0 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.846 0.355 . . . . 74.140000000000001 111.076 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.33 -38.02 68.74 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.776 0.322 . . . . 61.109999999999999 111.059 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.27 -51.84 66.09 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.972 0.415 . . . . 63.340000000000003 111.884 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -67.43 -26.22 66.31 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.796 0.332 . . . . 64.140000000000001 111.038 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.17 66.37 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.623 0.249 . . . . 72.310000000000002 111.205 174.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.04 -23.2 64.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.841 0.353 . . . . 63.219999999999999 111.364 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.544 0 CA-C-O 121.13 0.49 . . . . 41.450000000000003 110.91 175.791 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.548 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 84.8 m-85 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.898 0.38 . . . . 63.130000000000003 110.593 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.8 t -116.16 165.96 12.56 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.048 -0.524 . . . . 72.209999999999994 111.572 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.0 ptpt -74.16 -14.5 60.97 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.15 0.426 . . . . 74.239999999999995 112.15 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -83.42 -37.23 23.51 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.275 0.472 . . . . 62.140000000000001 112.275 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.2 ptm -63.34 152.19 38.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 120.883 0.373 . . . . 74.219999999999999 111.414 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.472 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 45.5 p -81.16 157.39 25.31 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.976 0.417 . . . . 61.130000000000003 111.913 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 33' ' ' ILE . 97.9 m-85 -53.53 -43.43 68.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.035 -0.53 . . . . 75.319999999999993 111.579 178.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -49.62 73.78 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.383 -0.371 . . . . 63.130000000000003 111.714 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 71.8 mt-30 -56.02 -49.74 72.84 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.88 0.371 . . . . 74.340000000000003 110.997 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.79 -49.05 74.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.315 -0.402 . . . . 75.409999999999997 111.581 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 HD12 ' A' ' 25' ' ' LEU . 96.7 mt -57.59 -36.16 71.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.099 0.407 . . . . 75.319999999999993 112.099 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.41 -19.33 42.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.955 0.407 . . . . 75.439999999999998 111.747 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -79.64 -41.1 27.67 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.781 0.324 . . . . 51.210000000000001 111.56 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -149.25 129.12 6.54 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 122.389 0.276 . . . . 53.109999999999999 111.327 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.28 -36.9 97.24 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.88 2.387 . . . . 63.539999999999999 113.319 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -19.98 54.74 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.354 -0.45 . . . . 75.030000000000001 113.708 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.44 -34.91 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.828 0.347 . . . . 74.010000000000005 111.369 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.75 -46.9 83.85 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.882 0.373 . . . . 51.530000000000001 111.206 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.11 98.74 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.094 -0.574 . . . . 72.519999999999996 112.836 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.96 -54.27 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.310000000000002 111.323 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 HD21 ' A' ' 15' ' ' LEU . 91.0 mt -58.77 -42.11 88.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.36 . . . . 72.409999999999997 111.578 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -60.69 -44.66 96.27 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.847 0.356 . . . . 65.409999999999997 111.226 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -57.65 -42.58 83.74 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.031 0.444 . . . . 62.439999999999998 111.313 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.03 20.57 2.23 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.382 0.512 . . . . 71.400000000000006 112.382 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 70.01 -3.47 1.75 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 112.566 0.58 . . . . 75.450000000000003 112.566 175.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 33' ' ' ILE . 83.2 mt -77.65 -3.13 39.42 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.919 -0.488 . . . . 73.109999999999999 112.087 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.03 -17.82 17.52 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 121.357 -0.449 . . . . 62.140000000000001 113.577 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.8 m -68.69 -10.86 58.84 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 122.424 -0.457 . . . . 71.129999999999995 111.903 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 30' ' ' LEU . 31.6 pt -54.88 -37.19 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.677 0.275 . . . . 54.240000000000002 111.351 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.94 52.87 4.76 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.78 -0.528 . . . . 41.340000000000003 111.78 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.2 t -172.0 -43.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.88 0.472 . . . . 71.530000000000001 110.552 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.5 ptm -88.39 -0.38 57.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.113 0.412 . . . . 74.349999999999994 112.113 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 41.15 54.22 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 121.06 -0.591 . . . . 63.32 113.293 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.2 17.61 23.68 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 122.472 -0.428 . . . . 42.530000000000001 111.988 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -60.13 -37.99 81.71 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.524 0.565 . . . . 72.530000000000001 112.524 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -95.58 19.81 10.53 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.842 0.353 . . . . 74.25 111.921 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -105.6 146.06 30.16 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.713 0.292 . . . . 71.219999999999999 110.981 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 m -63.33 150.06 44.26 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.855 0.317 . . . . 74.430000000000007 111.855 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 6' ' ' THR . 81.8 mt -53.74 -49.26 68.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.165 0.432 . . . . 73.140000000000001 112.165 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 28.4 tt0 -65.24 -37.78 88.31 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.044 0.387 . . . . 61.109999999999999 112.044 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -60.46 -48.2 82.78 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.647 0.261 . . . . 70.150000000000006 111.123 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.83 -39.29 95.03 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 120.977 -0.63 . . . . 55.229999999999997 113.017 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -54.26 49.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.495 -0.415 . . . . 52.240000000000002 111.384 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.71 -33.47 66.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.428 -0.351 . . . . 71.209999999999994 111.906 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.44 78.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.025 0.44 . . . . 74.319999999999993 111.294 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -89.94 -9.4 48.96 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.825 0.345 . . . . 72.120000000000005 111.492 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.87 16.56 67.51 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 121.561 -0.352 . . . . 42.119999999999997 113.41 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.53 156.75 17.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.81 0.338 . . . . 63.409999999999997 111.651 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -86.14 115.37 23.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.998 0.428 . . . . 72.049999999999997 111.584 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.7 p -66.07 -29.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.082 0.468 . . . . 61.310000000000002 111.88 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.02 -34.55 78.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.916 0.388 . . . . 71.420000000000002 111.538 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 33.0 t70 -71.47 -34.19 69.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.065 0.46 . . . . 73.319999999999993 110.391 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 54' ' ' VAL . 54.1 mt -64.72 -42.44 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-O 121.052 0.454 . . . . 74.230000000000004 110.608 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 61' ' ' LEU . 90.7 mt -56.37 -35.19 67.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.203 -0.453 . . . . 63.020000000000003 111.149 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 51.4 ttp85 -51.75 -54.89 23.56 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.237 -0.438 . . . . 75.239999999999995 111.117 173.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 13.6 t0 -66.16 -46.3 77.92 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 120.933 0.397 . . . . 53.100000000000001 110.867 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 58' ' ' LEU . 89.5 mt -53.98 -49.58 68.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.712 0.634 . . . . 62.329999999999998 112.712 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.71 -29.69 62.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.814 0.34 . . . . 74.420000000000002 111.063 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.66 -28.3 69.83 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.679 0.276 . . . . 62.229999999999997 111.394 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 91.9 mt -55.48 -37.87 68.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.81 0.338 . . . . 63.240000000000002 111.784 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.484 0 CA-C-N 116.385 -0.37 . . . . 72.329999999999998 111.681 -179.061 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.757 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 109.748 -0.464 . . . . 63.140000000000001 109.748 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.526 ' O ' ' HG2' ' A' ' 9' ' ' MET . 10.2 t -118.74 171.24 8.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.179 0.514 . . . . 54.32 111.933 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.63 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.9 ptpt -69.84 -17.12 63.37 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.16 -0.473 . . . . 75.329999999999998 112.157 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.42 -35.18 27.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.346 0.499 . . . . 74.219999999999999 112.346 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.757 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -70.28 154.93 41.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.052 0.453 . . . . 74.049999999999997 111.674 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 32.4 p -83.8 160.65 21.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.119 -0.491 . . . . 52.549999999999997 111.948 -177.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 85.2 m-85 -57.17 -38.76 74.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.297 -0.41 . . . . 71.019999999999996 111.052 174.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.04 71.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.648 0.261 . . . . 34.340000000000003 111.359 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 76.4 mt-30 -56.05 -47.72 77.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.9 0.381 . . . . 63.119999999999997 111.081 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -56.71 -50.12 73.12 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.212 -0.449 . . . . 63.5 111.668 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 88.3 mt -59.46 -42.36 91.82 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.896 0.379 . . . . 75.329999999999998 111.645 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.95 -28.86 67.01 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.71 0.291 . . . . 63.310000000000002 111.738 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -74.61 -40.44 61.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.899 0.38 . . . . 75.129999999999995 111.583 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -151.51 117.07 3.16 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 111.799 0.296 . . . . 72.010000000000005 111.799 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.2 -26.52 42.83 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.691 2.26 . . . . 72.040000000000006 112.967 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -26.34 67.35 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 121.416 -0.421 . . . . 65.409999999999997 113.317 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.8 t -55.12 -38.32 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.69 -0.3 . . . . 74.129999999999995 111.204 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.84 -47.71 73.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.909 0.385 . . . . 51.130000000000003 111.153 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.94 99.68 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 121.184 -0.531 . . . . 52.210000000000001 112.918 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.23 -47.9 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.769 0.319 . . . . 74.349999999999994 111.17 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 92.5 mt -59.04 -43.45 91.65 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.863 0.363 . . . . 75.010000000000005 111.096 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.68 -36.2 80.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.894 0.378 . . . . 71.329999999999998 111.043 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -66.66 -38.79 87.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.254 0.549 . . . . 65.219999999999999 110.888 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 39.2 m-85 -95.62 25.02 4.79 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.867 -0.606 . . . . 74.209999999999994 112.079 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 21.0 t-20 71.34 -15.92 0.39 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.253 0.834 . . . . 74.409999999999997 113.253 174.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.7 mt -72.06 2.5 5.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.745 0.646 . . . . 62.119999999999997 112.745 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.35 -10.38 21.96 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.055 -0.593 . . . . 42.119999999999997 113.643 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 36' ' ' MET . 62.2 m -89.09 12.83 14.57 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.404 -0.468 . . . . 51.340000000000003 112.219 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.9 pt -53.81 -30.11 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.526 . . . . 64.519999999999996 112.419 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.38 88.5 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.808 -0.711 . . . . 75.439999999999998 112.452 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -70.61 -38.01 73.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.042 0.386 . . . . 71.239999999999995 112.042 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 27.7 ptm -84.84 -3.95 58.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 111.786 0.291 . . . . 70.409999999999997 111.786 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.29 52.3 50.46 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.333 -0.461 . . . . 60.549999999999997 113.566 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.13 21.61 17.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.829 0.678 . . . . 75.510000000000005 112.829 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.34 -45.18 95.5 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.911 -0.493 . . . . 72.519999999999996 111.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -84.28 -5.79 59.31 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.089 0.471 . . . . 63.43 111.402 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -87.21 145.94 26.19 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.22 -0.445 . . . . 71.230000000000004 110.956 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.622 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 80.3 p -75.38 150.85 38.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.027 0.441 . . . . 65.239999999999995 111.887 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.25 -39.79 31.74 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.882 -0.599 . . . . 52.299999999999997 112.061 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.63 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -65.1 -48.78 72.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.241 0.46 . . . . 74.409999999999997 112.241 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.537 ' HG3' ' OG ' ' A' ' 42' ' ' SER . 72.9 mt-30 -58.1 -50.19 74.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.779 0.323 . . . . 74.299999999999997 111.144 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.33 97.31 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.089 -0.577 . . . . 73.209999999999994 112.951 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -57.98 10.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.887 0.375 . . . . 71.349999999999994 111.46 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -61.59 -34.94 76.48 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.735 0.272 . . . . 64.409999999999997 111.735 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.11 -34.59 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.944 0.402 . . . . 71.400000000000006 111.497 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -97.2 8.14 45.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 111.776 0.287 . . . . 72.420000000000002 111.776 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.84 42.67 60.46 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.54 -0.3 . . . . 71.409999999999997 113.83 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.2 mt -120.01 159.56 24.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.007 0.432 . . . . 62.420000000000002 111.832 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -89.63 112.6 23.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.297 -0.41 . . . . 64.109999999999999 110.7 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.5 p -59.2 -36.88 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 112.159 0.429 . . . . 71.439999999999998 112.159 -177.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.22 -38.63 89.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.828 0.346 . . . . 74.310000000000002 111.846 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 14.8 t70 -65.17 -35.04 79.83 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.146 0.498 . . . . 71.209999999999994 110.715 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -71.03 -51.56 34.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.8 -0.637 . . . . 74.439999999999998 111.078 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 83.9 mt -52.71 -36.01 56.68 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.199 0.524 . . . . 74.209999999999994 110.972 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 16.7 ttp180 -51.24 -53.09 38.6 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.496 -0.774 . . . . 72.230000000000004 111.723 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.95 -38.3 69.82 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.042 0.449 . . . . 74.439999999999998 110.865 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.03 -51.27 70.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.105 -0.498 . . . . 74.329999999999998 111.989 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 59.0 m-80 -69.55 -30.83 68.72 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.835 0.35 . . . . 75.239999999999995 111.101 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.07 -31.97 67.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.677 -0.238 . . . . 44.509999999999998 111.472 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.52 -34.86 69.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.172 0.51 . . . . 73.239999999999995 111.329 175.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.432 0 CA-C-N 116.16 -0.473 . . . . 55.140000000000001 111.882 -179.233 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 110.228 -0.286 . . . . 73.430000000000007 110.228 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.3 t -122.08 159.76 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.943 0.402 . . . . 65.329999999999998 111.937 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.6 ptpt -60.05 -26.81 66.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.027 0.442 . . . . 64.329999999999998 111.389 177.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.8 -43.76 97.96 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.48 -0.782 . . . . 53.130000000000003 112.561 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.5 ptm -73.47 154.2 40.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.286 0.565 . . . . 62.299999999999997 111.962 -176.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 63.9 p -83.47 163.97 20.16 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.019 -0.537 . . . . 53.210000000000001 112.233 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -55.46 -41.86 73.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.082 -0.508 . . . . 74.209999999999994 111.183 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -57.68 -51.23 70.4 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.388 -0.369 . . . . 64.5 111.642 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 76.1 mt-30 -59.19 -43.77 92.21 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.883 0.373 . . . . 71.549999999999997 111.436 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.8 -50.62 72.65 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.926 0.393 . . . . 50.43 111.252 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.46 -37.31 77.85 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.083 -0.508 . . . . 74.010000000000005 111.911 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.4 mm-40 -77.2 -24.45 51.35 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.09 0.404 . . . . 75.230000000000004 112.09 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.2 m -78.23 -36.77 46.69 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.097 0.475 . . . . 72.329999999999998 110.685 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -152.61 109.12 2.74 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-N 116.174 -0.467 . . . . 75.299999999999997 110.964 175.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.5 -26.28 28.08 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.488 2.125 . . . . 75.510000000000005 112.96 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.86 -25.08 61.09 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.479 -0.391 . . . . 70.019999999999996 113.12 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.88 -31.77 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.789 0.328 . . . . 72.120000000000005 111.192 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.73 -50.76 69.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.767 0.318 . . . . 54.329999999999998 111.385 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.79 -35.32 91.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.085 -0.578 . . . . 62.210000000000001 112.868 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.82 -52.57 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.831 0.348 . . . . 73.439999999999998 111.114 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -55.59 -43.29 75.87 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.982 0.42 . . . . 61.439999999999998 110.89 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -59.44 -42.04 91.02 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.342 -0.39 . . . . 74.329999999999998 111.082 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.38 -36.05 77.16 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.266 -0.425 . . . . 70.420000000000002 111.354 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 73.0 m-85 -99.16 26.12 6.19 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.202 0.445 . . . . 75.420000000000002 112.202 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.48 12.72 6.6 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.616 0.599 . . . . 75.209999999999994 112.616 171.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.5 mt -88.0 2.71 51.1 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.762 -0.587 . . . . 73.340000000000003 111.852 177.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.39 -25.6 49.34 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 121.288 -0.482 . . . . 72.409999999999997 113.861 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.1 m -73.86 0.81 12.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.832 0.679 . . . . 74.040000000000006 112.832 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.02 -31.14 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 120.803 0.335 . . . . 73.150000000000006 111.7 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -50.73 56.57 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.965 -0.636 . . . . 72.409999999999997 112.348 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.73 -32.42 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.245 0.461 . . . . 74.310000000000002 112.245 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.8 ptm -94.75 1.09 55.44 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 111.914 0.339 . . . . 72.519999999999996 111.914 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.63 21.71 71.11 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.375 -0.441 . . . . 61.329999999999998 114.084 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 18.0 0.18 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.897 0.703 . . . . 75.049999999999997 112.897 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.9 -32.46 70.76 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.905 0.383 . . . . 72.219999999999999 111.534 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.48 8.39 38.95 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.259 -0.428 . . . . 73.140000000000001 111.832 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 45' ' ' GLN . 32.4 tt0 -104.46 143.24 33.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.957 0.408 . . . . 74.230000000000004 111.237 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 48.0 m -65.97 150.56 48.45 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.318 -0.401 . . . . 72.519999999999996 111.993 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -50.87 -49.01 60.09 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.051 0.76 . . . . 73.420000000000002 113.051 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 35.8 tt0 -61.34 -39.79 91.87 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.915 0.339 . . . . 41.399999999999999 111.915 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.413 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 50.1 mt-30 -62.93 -52.99 60.92 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.532 0.206 . . . . 60.329999999999998 111.412 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.12 95.07 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.202 -0.523 . . . . 43.240000000000002 112.771 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.27 78.51 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.03 0.443 . . . . 74.430000000000007 110.725 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -60.99 -36.52 79.67 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.209 -0.45 . . . . 72.120000000000005 111.264 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.99 67.22 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.438 -0.346 . . . . 64.409999999999997 111.562 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -100.4 6.33 44.45 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.94 0.348 . . . . 70.200000000000003 111.94 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.46 41.83 90.02 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.583 -0.341 . . . . 72.400000000000006 113.498 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -122.93 148.21 45.73 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.781 0.324 . . . . 72.0 111.287 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -80.93 115.24 20.31 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.195 0.521 . . . . 74.150000000000006 111.066 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' HG ' ' A' ' 58' ' ' LEU . 13.9 p -57.45 -28.72 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.912 -0.585 . . . . 60.450000000000003 112.237 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.5 -41.69 90.46 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.306 0.484 . . . . 73.230000000000004 112.306 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.31 -32.28 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.102 0.477 . . . . 73.150000000000006 110.682 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.434 HD13 HD11 ' A' ' 30' ' ' LEU . 57.2 mt -68.7 -48.89 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.067 -0.515 . . . . 73.349999999999994 110.591 175.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HG ' HG22 ' A' ' 54' ' ' VAL . 91.1 mt -55.22 -39.78 70.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.356 -0.383 . . . . 71.430000000000007 111.358 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.405 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 34.9 ttp85 -52.0 -53.32 43.08 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.125 0.488 . . . . 52.399999999999999 111.107 174.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -32.23 70.68 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.913 -0.585 . . . . 71.299999999999997 110.881 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 89.1 mt -69.07 -52.15 31.47 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.933 0.346 . . . . 53.439999999999998 111.933 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -64.75 -24.6 67.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.662 0.268 . . . . 75.109999999999999 111.398 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.51 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.607 0.241 . . . . 73.329999999999998 111.394 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.4 -17.86 63.03 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.857 0.36 . . . . 74.400000000000006 111.407 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 120.873 0.368 . . . . 62.539999999999999 111.504 178.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.574 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.4 m-85 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 120.918 0.389 . . . . 73.319999999999993 110.727 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.2 t -121.03 170.04 9.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.265 0.555 . . . . 64.510000000000005 112.189 -176.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.803 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.9 ptpt -73.32 -17.61 61.28 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.036 -0.529 . . . . 65.109999999999999 111.876 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -81.56 -36.52 28.99 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.593 0.59 . . . . 72.430000000000007 112.593 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.574 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.6 ptm -67.79 152.1 46.13 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.098 0.475 . . . . 71.340000000000003 112.111 -176.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.2 p -86.23 162.05 18.5 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.278 0.473 . . . . 63.450000000000003 112.278 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -57.6 -43.1 84.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.231 -0.441 . . . . 72.310000000000002 111.717 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.9 83.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 111.313 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -58.62 -51.0 71.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.853 0.359 . . . . 73.530000000000001 110.956 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -56.19 -46.99 79.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.404 -0.362 . . . . 73.129999999999995 111.901 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 HD12 ' A' ' 25' ' ' LEU . 93.4 mt -57.53 -34.63 69.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.277 0.473 . . . . 71.5 112.277 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -94.08 -4.72 48.87 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.085 0.402 . . . . 63.030000000000001 112.085 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -79.59 -52.8 7.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.887 0.375 . . . . 73.400000000000006 110.731 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.29 134.94 16.84 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 122.618 0.367 . . . . 74.310000000000002 111.096 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -59.87 -34.87 95.29 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.804 2.336 . . . . 73.109999999999999 113.313 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.15 -19.13 65.76 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.184 -0.531 . . . . 44.409999999999997 113.822 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 14' ' ' ALA . 98.7 t -58.25 -41.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.964 0.357 . . . . 70.450000000000003 111.964 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -51.8 -55.77 17.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.863 0.363 . . . . 74.049999999999997 111.823 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -39.32 94.53 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.352 -0.452 . . . . 73.319999999999993 113.03 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.35 -46.84 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.961 0.41 . . . . 72.239999999999995 111.127 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 HD21 ' A' ' 15' ' ' LEU . 82.7 mt -57.98 -46.64 84.84 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.87 0.367 . . . . 71.230000000000004 110.763 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 59.6 mtp180 -62.11 -32.05 72.57 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.929 0.395 . . . . 72.430000000000007 111.171 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -62.11 -31.17 71.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.904 0.383 . . . . 64.209999999999994 111.3 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.471 ' HB3' HD13 ' A' ' 52' ' ' LEU . 77.2 m-85 -96.32 15.48 21.05 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 111.774 0.287 . . . . 71.409999999999997 111.774 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.1 t30 62.62 35.81 14.05 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.521 0.677 . . . . 73.310000000000002 111.327 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 33' ' ' ILE . 89.8 mt -102.7 11.88 37.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.053 -0.521 . . . . 71.299999999999997 111.555 176.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.47 -23.13 68.31 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.186 -0.53 . . . . 54.240000000000002 113.576 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 36' ' ' MET . 48.8 t -74.79 -0.24 17.62 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.363 0.505 . . . . 55.130000000000003 112.363 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -52.32 -27.12 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.497 0.555 . . . . 72.129999999999995 112.497 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.16 -50.08 29.96 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.057 -0.592 . . . . 74.420000000000002 112.613 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.99 -42.95 79.98 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.991 0.425 . . . . 74.030000000000001 112.055 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.7 ptm -79.3 0.65 27.98 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.922 0.341 . . . . 64.109999999999999 111.922 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.81 28.35 69.98 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 114.068 0.387 . . . . 60.109999999999999 114.068 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.73 17.47 0.7 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.315 0.487 . . . . 75.129999999999995 112.315 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -65.29 -27.89 68.94 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.796 0.332 . . . . 74.400000000000006 111.571 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -91.73 -7.64 49.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.878 0.371 . . . . 72.420000000000002 111.564 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -93.13 148.68 21.81 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.993 0.425 . . . . 75.299999999999997 111.626 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.619 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 86.9 p -76.74 155.01 33.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.924 0.392 . . . . 64.230000000000004 111.8 -177.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.08 -40.81 67.55 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.276 -0.42 . . . . 41.210000000000001 111.827 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.9 tt0 -65.27 -49.54 69.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.934 0.346 . . . . 53.450000000000003 111.934 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -60.69 -45.3 94.69 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.903 0.383 . . . . 73.530000000000001 111.058 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.47 92.95 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.116 -0.564 . . . . 34.210000000000001 112.588 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.86 52.72 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.755 0.312 . . . . 74.140000000000001 111.177 176.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -55.79 -41.66 74.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.486 -0.324 . . . . 75.409999999999997 111.258 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.44 99.1 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.021 0.438 . . . . 61.210000000000001 111.877 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -90.63 7.63 38.33 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.367 0.506 . . . . 55.200000000000003 112.367 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.65 51.02 57.4 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.38 -0.438 . . . . 64.019999999999996 113.634 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 28' ' ' TYR . 83.6 mt -126.97 171.52 11.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.1 0.476 . . . . 72.030000000000001 111.708 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -100.98 110.46 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.071 -0.513 . . . . 72.530000000000001 110.218 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.7 p -57.26 -36.22 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 111.839 0.311 . . . . 73.439999999999998 111.839 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.61 -37.45 87.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.014 0.435 . . . . 65.510000000000005 111.482 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.1 t70 -74.95 -38.59 61.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.109 0.48 . . . . 73.25 110.798 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.24 -50.23 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.975 0.416 . . . . 72.340000000000003 110.503 175.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 88.0 mt -58.24 -34.0 69.97 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.323 -0.399 . . . . 62.43 111.341 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 18.7 ttp180 -54.97 -49.85 70.4 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.06 0.457 . . . . 75.019999999999996 111.001 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.39 -40.29 77.46 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.178 -0.464 . . . . 54.25 111.112 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.76 -51.88 65.39 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.178 -0.465 . . . . 75.219999999999999 112.164 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -67.16 -25.65 66.26 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.096 -0.377 . . . . 55.43 111.336 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.77 -26.31 65.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.712 0.292 . . . . 43.229999999999997 111.232 174.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.07 -26.41 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.094 0.473 . . . . 73.510000000000005 111.508 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.539 0 CA-C-N 116.275 -0.42 . . . . 34.119999999999997 111.766 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.745 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 93.7 m-85 . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.827 0.346 . . . . 73.129999999999995 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.582 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -122.6 166.78 14.3 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.135 -0.484 . . . . 52.539999999999999 111.702 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.678 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -63.48 -28.92 70.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.816 0.341 . . . . 64.439999999999998 111.41 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.77 -35.96 72.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.931 -0.577 . . . . 74.420000000000002 112.49 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.745 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -71.71 148.47 46.38 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.244 0.545 . . . . 61.509999999999998 111.498 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.8 p -84.56 162.13 19.93 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.395 0.517 . . . . 64.430000000000007 112.395 -176.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -53.73 -42.29 67.95 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.296 -0.411 . . . . 74.239999999999995 111.422 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -57.29 -48.89 77.76 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.389 -0.369 . . . . 71.239999999999995 111.325 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.26 -45.02 88.59 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.819 0.342 . . . . 73.030000000000001 111.295 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.02 -48.82 77.58 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.386 -0.37 . . . . 75.409999999999997 111.601 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.86 85.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.021 0.439 . . . . 75.329999999999998 111.528 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 28.2 mm-40 -73.39 -21.22 60.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.931 0.396 . . . . 74.540000000000006 111.724 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -80.71 -52.71 7.24 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.805 0.336 . . . . 75.519999999999996 111.365 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -137.3 120.87 11.81 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 122.337 0.255 . . . . 73.239999999999995 111.256 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.92 -34.42 91.78 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.545 2.163 . . . . 75.150000000000006 113.125 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -20.32 50.38 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.508 -0.377 . . . . 70.5 113.963 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG11 ' HB1' ' A' ' 14' ' ' ALA . 85.9 t -60.1 -32.76 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 122.595 -0.356 . . . . 70.129999999999995 111.623 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -51.03 67.7 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.019 0.438 . . . . 61.329999999999998 111.303 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.16 97.58 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 116.185 -0.461 . . . . 73.530000000000001 112.683 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.37 -55.37 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.968 0.413 . . . . 62.299999999999997 111.173 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.29 -50.93 69.99 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.286 -0.416 . . . . 72.420000000000002 111.271 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.66 -32.32 72.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.801 0.296 . . . . 74.299999999999997 111.801 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -62.96 -37.96 89.17 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.218 0.533 . . . . 72.040000000000006 111.184 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HB3' HD13 ' A' ' 52' ' ' LEU . 28.1 m-85 -89.84 11.56 19.85 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 112.041 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 63.86 45.97 4.14 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.636 0.731 . . . . 73.129999999999995 111.009 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -112.38 13.27 20.26 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.879 -0.601 . . . . 72.150000000000006 110.601 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.01 -26.5 68.68 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.251 -0.5 . . . . 73.209999999999994 113.615 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.22 -9.96 13.54 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.507 0.558 . . . . 71.109999999999999 112.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.0 pt -48.13 -37.58 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 111.988 0.366 . . . . 60.25 111.988 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.13 -41.6 86.35 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.967 -0.635 . . . . 64.409999999999997 112.757 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -65.84 -52.06 53.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.761 0.315 . . . . 74.450000000000003 111.763 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -76.1 -10.4 59.39 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 111.899 0.333 . . . . 72.109999999999999 111.899 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.76 58.24 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.137 -0.554 . . . . 73.109999999999999 113.186 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.2 31.71 0.64 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.073 0.463 . . . . 33.299999999999997 111.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 32.5 mm-40 -62.97 -34.51 77.67 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 122.193 -0.317 . . . . 73.209999999999994 111.769 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -89.75 13.45 14.31 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.966 0.412 . . . . 72.129999999999995 111.868 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -91.05 134.12 34.76 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.651 0.262 . . . . 54.399999999999999 110.36 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 83.6 p -73.6 154.47 39.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.048 0.452 . . . . 55.450000000000003 111.425 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt -54.53 -40.39 68.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.027 -0.533 . . . . 61.039999999999999 112.413 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.7 tt0 -66.66 -45.63 78.34 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.81 0.3 . . . . 75.540000000000006 111.81 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -55.48 -51.36 67.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.949 0.404 . . . . 74.510000000000005 111.268 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.77 -37.57 94.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 120.929 -0.653 . . . . 34.450000000000003 113.164 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.57 -60.09 3.92 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.504 -0.409 . . . . 63.049999999999997 111.435 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -59.67 -39.49 84.64 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.944 0.402 . . . . 65.5 111.587 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -30.32 68.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.228 0.455 . . . . 51.450000000000003 112.228 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -102.2 4.76 39.72 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.045 0.387 . . . . 72.099999999999994 112.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.71 32.87 39.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.3 -0.476 . . . . 75.329999999999998 113.765 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 28' ' ' TYR . 37.6 mt -117.98 163.99 15.76 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.666 0.387 . . . . 75.409999999999997 111.629 -176.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -98.75 121.02 40.17 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.141 -0.318 . . . . 61.399999999999999 110.141 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.5 p -53.78 -39.43 39.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 111.964 0.357 . . . . 53.140000000000001 111.964 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.74 -43.88 97.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.934 0.397 . . . . 64.430000000000007 111.457 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 31.7 t70 -62.36 -32.86 73.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.082 0.468 . . . . 65.319999999999993 111.103 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.3 mt -74.57 -51.21 23.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.112 -0.495 . . . . 62.210000000000001 110.938 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.1 mt -54.3 -31.23 53.46 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.988 0.423 . . . . 71.049999999999997 111.153 177.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 4.6 ttp180 -50.77 -56.62 11.21 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.744 -0.662 . . . . 74.519999999999996 111.525 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.419 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 9.7 t70 -72.86 -40.18 65.88 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.302 -0.408 . . . . 71.340000000000003 111.038 -178.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -56.92 -51.62 68.4 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.868 0.322 . . . . 65.239999999999995 111.868 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -68.32 -32.37 72.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.692 0.282 . . . . 61.350000000000001 110.901 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -24.75 66.03 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.628 -0.26 . . . . 70.430000000000007 111.563 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 93.7 mt -69.36 -36.09 76.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.998 0.428 . . . . 73.200000000000003 111.454 175.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.065 0.459 . . . . 75.239999999999995 111.762 -179.029 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.601 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 121.069 0.461 . . . . 53.130000000000003 111.552 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -98.11 -179.32 4.35 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.82 0.343 . . . . 75.430000000000007 111.306 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -117.01 131.44 56.95 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.748 0.309 . . . . 71.030000000000001 111.247 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -62.96 -22.34 66.73 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.821 0.343 . . . . 75.209999999999994 111.528 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 97.7 m-85 -118.91 114.42 22.57 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.074 -0.512 . . . . 63.210000000000001 110.491 172.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.3 t -121.58 162.17 21.09 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.121 0.486 . . . . 74.030000000000001 111.831 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.734 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.5 ptpt -68.56 -20.86 64.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.335 -0.393 . . . . 74.010000000000005 111.408 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.68 -31.85 52.73 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.841 -0.618 . . . . 72.209999999999994 112.199 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -75.52 159.04 31.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.934 0.397 . . . . 74.209999999999994 111.583 -176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 62.0 p -86.09 159.55 19.52 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.373 0.509 . . . . 60.509999999999998 112.373 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.17 -43.08 87.29 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.291 -0.413 . . . . 75.239999999999995 111.534 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -57.37 -41.21 79.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.917 0.389 . . . . 70.340000000000003 111.735 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.93 -42.84 76.24 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.681 -0.236 . . . . 73.0 111.264 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.02 78.68 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.962 0.411 . . . . 72.040000000000006 111.592 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 25' ' ' LEU . 97.0 mt -56.75 -41.43 77.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 111.875 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -79.46 -8.28 59.01 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.122 0.416 . . . . 74.420000000000002 112.122 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' ND1' ' A' ' 18' ' ' HIS . 96.3 m -86.46 -41.25 14.56 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.024 0.44 . . . . 72.439999999999998 110.974 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' ND1' HG22 ' A' ' 17' ' ' THR . 57.3 m80 -149.03 115.81 3.74 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 122.518 0.327 . . . . 73.209999999999994 110.784 174.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.25 -32.21 59.55 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.485 2.123 . . . . 64.239999999999995 113.089 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.31 -21.34 56.75 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 121.382 -0.437 . . . . 71.349999999999994 113.558 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.8 t -58.69 -36.08 58.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.683 0.278 . . . . 64.420000000000002 111.272 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -56.87 -46.23 81.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.746 0.307 . . . . 74.519999999999996 111.269 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.24 -45.36 96.66 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 121.106 -0.568 . . . . 72.200000000000003 112.764 177.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 64' ' ' LEU . 61.9 t -59.81 -51.17 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.857 0.36 . . . . 65.420000000000002 111.098 177.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD12 HD21 ' A' ' 15' ' ' LEU . 85.6 mt -58.03 -49.93 75.18 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 111.745 0.276 . . . . 73.140000000000001 111.745 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 73.3 mtp180 -60.54 -37.62 81.83 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.804 0.335 . . . . 72.040000000000006 111.294 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 t -65.24 -31.1 72.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.154 0.502 . . . . 64.510000000000005 110.971 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.31 20.85 6.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.229 -0.441 . . . . 74.510000000000005 112.134 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 68.55 5.0 4.58 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.28 0.562 . . . . 64.120000000000005 111.931 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' ILE . 96.9 mt -90.56 14.59 12.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.897 -0.502 . . . . 70.129999999999995 111.802 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.21 -27.67 73.5 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.872 -0.68 . . . . 73.349999999999994 112.834 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 36' ' ' MET . 63.2 m -65.18 -5.96 8.12 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.826 0.676 . . . . 72.019999999999996 112.826 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 30' ' ' LEU . 27.8 pt -54.18 -30.98 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 112.632 0.604 . . . . 44.310000000000002 112.632 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.98 -37.86 64.4 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.816 -0.707 . . . . 72.439999999999998 112.779 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.86 -52.57 9.24 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.817 0.341 . . . . 52.439999999999998 111.705 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.0 ptm -69.22 -2.48 10.61 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.345 0.498 . . . . 70.219999999999999 112.345 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.34 27.81 69.11 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.184 -0.531 . . . . 43.149999999999999 113.567 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.2 9.51 6.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.478 -0.425 . . . . 60.210000000000001 111.989 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 29.6 mm-40 -57.82 -41.96 83.29 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.167 0.508 . . . . 63.039999999999999 111.071 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -87.65 13.11 11.03 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.999 -0.546 . . . . 74.129999999999995 111.572 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -108.87 146.34 33.87 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.541 -0.299 . . . . 62.009999999999998 111.336 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 61.4 m -70.16 150.22 46.73 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.867 0.365 . . . . 70.129999999999995 111.958 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 6' ' ' THR . 85.3 mt -53.28 -44.77 68.51 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.53 0.567 . . . . 74.010000000000005 112.53 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -64.81 -35.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 111.86 0.319 . . . . 73.530000000000001 111.86 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.19 -49.73 70.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.862 0.363 . . . . 75.430000000000007 111.191 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.55 -34.81 90.13 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.002 -0.618 . . . . 71.409999999999997 112.903 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -59.28 5.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.725 0.298 . . . . 72.409999999999997 111.601 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -60.05 -34.43 73.4 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.705 0.288 . . . . 63.009999999999998 111.529 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.88 70.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.992 0.425 . . . . 75.299999999999997 111.657 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -100.87 11.18 40.09 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.957 0.408 . . . . 62.0 111.381 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 36.99 85.98 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.244 0.458 . . . . 61.149999999999999 114.244 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -120.48 161.48 21.18 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.994 0.426 . . . . 73.019999999999996 111.311 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -98.5 123.75 42.83 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.955 0.407 . . . . 60.509999999999998 110.078 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.439 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 p -61.08 -25.83 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 116.32 -0.4 . . . . 72.230000000000004 111.927 -176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -56.11 -51.84 66.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.905 0.383 . . . . 73.430000000000007 111.729 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.18 -35.17 79.41 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.126 0.489 . . . . 72.349999999999994 111.124 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.18 -52.44 52.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.087 -0.506 . . . . 75.099999999999994 110.893 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.7 mt -57.54 -36.66 71.9 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.243 -0.435 . . . . 73.430000000000007 111.095 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -52.03 -56.73 12.51 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.075 -0.511 . . . . 74.209999999999994 111.53 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -36.42 66.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.29 -0.414 . . . . 73.140000000000001 111.653 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.92 -48.16 80.14 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.999 0.428 . . . . 73.099999999999994 111.652 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.84 -29.45 70.18 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.012 0.434 . . . . 53.149999999999999 111.335 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.57 70.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.354 -0.385 . . . . 72.400000000000006 111.153 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.406 HD11 HG21 ' A' ' 24' ' ' VAL . 83.8 mt -67.59 -25.63 65.87 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.371 -0.377 . . . . 70.329999999999998 111.052 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.71 -39.66 30.71 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.974 0.416 . . . . 64.019999999999996 111.421 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.77 -47.78 57.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.287 -0.415 . . . . 73.019999999999996 111.577 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 67.72 0.59 2.32 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.493 0.923 . . . . 62.549999999999997 113.493 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -78.31 -28.72 47.5 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 122.11 -0.369 . . . . 65.040000000000006 111.594 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -73.81 120.87 19.99 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.857 0.36 . . . . 55.509999999999998 111.572 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -100.21 126.44 46.49 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 122.185 -0.322 . . . . 72.109999999999999 110.822 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -74.79 -10.74 59.8 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.879 0.325 . . . . 72.319999999999993 111.879 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -138.43 130.59 28.55 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 120.905 0.383 . . . . 74.409999999999997 111.263 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.848 -0.596 . . . . 73.099999999999994 111.715 179.498 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.663 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 120.677 0.275 . . . . 71.040000000000006 111.278 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m -63.91 116.26 5.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.645 -0.252 . . . . 72.219999999999999 111.248 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -66.32 119.98 12.49 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.801 0.334 . . . . 71.329999999999998 111.749 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -61.73 -51.81 66.85 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.951 0.405 . . . . 61.420000000000002 110.607 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.654 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 92.0 m-85 -77.5 91.7 3.95 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.028 -0.533 . . . . 64.340000000000003 110.253 175.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.638 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.0 t -123.32 156.04 36.08 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.305 0.574 . . . . 64.120000000000005 111.987 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.813 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -54.4 -26.09 28.46 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.516 0.561 . . . . 72.299999999999997 112.516 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.21 -15.08 57.8 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.607 0.595 . . . . 73.099999999999994 112.607 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.654 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 23.2 ptm -88.66 158.4 18.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.973 -0.454 . . . . 71.239999999999995 110.949 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 38.4 p -85.38 158.37 20.26 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.0 0.429 . . . . 71.140000000000001 112.068 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -55.23 -44.4 75.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.251 -0.431 . . . . 72.439999999999998 111.595 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -54.98 -48.91 72.65 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.2 -0.455 . . . . 63.450000000000003 111.675 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.467 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 78.2 mt-30 -56.4 -48.36 77.07 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.832 0.348 . . . . 64.049999999999997 111.46 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -58.23 -44.25 88.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.366 -0.379 . . . . 53.399999999999999 111.306 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD21 HD12 ' A' ' 25' ' ' LEU . 97.4 mt -63.02 -28.19 69.93 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.157 -0.474 . . . . 74.040000000000006 112.151 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 21.6 mm-40 -82.75 -31.39 28.4 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.956 0.408 . . . . 73.420000000000002 111.107 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.1 m -67.28 -58.14 5.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.462 -0.335 . . . . 70.109999999999999 111.504 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 6.6 m-70 -138.3 131.68 16.48 Favored Pre-proline 0 N--CA 1.471 0.589 0 O-C-N 122.331 -0.23 . . . . 72.209999999999994 111.427 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 37.4 Cg_exo -60.97 -33.13 92.8 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.864 2.376 . . . . 72.329999999999998 112.959 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.64 53.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.237 -0.438 . . . . 54.299999999999997 113.438 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.539 HG11 ' HB1' ' A' ' 14' ' ' ALA . 84.6 t -56.07 -37.67 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.566 0.222 . . . . 54.0 111.419 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.24 76.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.996 0.426 . . . . 62.130000000000003 111.4 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -44.12 91.06 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.218 -0.515 . . . . 61.32 112.735 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 HD11 ' A' ' 64' ' ' LEU . 83.9 t -59.73 -49.19 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.916 0.388 . . . . 65.230000000000004 111.417 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 HD13 ' A' ' 33' ' ' ILE . 93.1 mt -55.25 -52.41 63.5 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.291 -0.413 . . . . 72.420000000000002 110.899 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -56.73 -39.57 74.16 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.837 0.351 . . . . 64.530000000000001 111.284 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.9 t -61.62 -36.58 81.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.199 -0.455 . . . . 72.310000000000002 112.012 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -88.24 5.15 43.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.083 0.401 . . . . 70.530000000000001 112.083 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 69.74 53.54 0.39 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.827 0.822 . . . . 74.439999999999998 110.625 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 33' ' ' ILE . 99.6 mt -126.39 15.32 7.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.472 -0.785 . . . . 70.450000000000003 110.9 175.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -20.29 71.72 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.985 -0.626 . . . . 71.129999999999995 112.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 35' ' ' CYS . 42.4 t -81.49 8.21 10.06 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.011 0.374 . . . . 74.109999999999999 112.011 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 30' ' ' LEU . 10.3 pt -54.46 -31.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 112.575 0.583 . . . . 54.530000000000001 112.575 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -39.7 69.25 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.751 -0.738 . . . . 74.239999999999995 112.398 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.72 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 67.2 m -68.91 -39.97 79.39 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.781 0.325 . . . . 70.5 111.721 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.6 ptm -86.41 3.79 42.23 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 111.913 0.338 . . . . 73.540000000000006 111.913 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.55 29.95 75.1 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 121.388 -0.434 . . . . 32.240000000000002 114.082 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.35 11.25 3.73 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.855 0.687 . . . . 44.530000000000001 112.855 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -65.65 -30.49 71.2 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.273 0.558 . . . . 74.099999999999994 110.834 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -98.42 20.8 12.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.963 -0.562 . . . . 65.200000000000003 111.081 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -123.72 151.05 43.61 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.562 -0.29 . . . . 72.340000000000003 111.047 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 82.5 p -76.6 155.23 33.7 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.085 0.469 . . . . 63.240000000000002 111.909 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.78 -42.32 64.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.757 -0.656 . . . . 52.299999999999997 112.113 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.9 tt0 -64.68 -48.07 76.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 111.929 0.344 . . . . 73.420000000000002 111.929 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.63 -46.47 88.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.744 0.307 . . . . 65.519999999999996 111.485 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -45.41 95.97 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.118 -0.563 . . . . 74.299999999999997 112.894 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.15 66.88 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.003 0.43 . . . . 64.439999999999998 111.159 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HG2' ' A' ' 44' ' ' GLU . 92.2 m-20 -55.78 -33.04 64.0 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.013 -0.54 . . . . 65.439999999999998 112.03 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -36.16 77.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.1 0.476 . . . . 75.420000000000002 111.391 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -90.83 5.52 48.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.305 -0.407 . . . . 72.120000000000005 111.458 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.15 35.21 90.16 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.621 -0.323 . . . . 74.430000000000007 113.697 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -102.63 160.88 14.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.997 0.427 . . . . 75.200000000000003 111.992 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -84.25 104.61 14.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.138 -0.483 . . . . 71.219999999999999 110.182 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.1 p -58.4 -34.51 50.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 111.886 0.328 . . . . 54.509999999999998 111.886 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -60.63 -46.54 89.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.163 0.506 . . . . 61.450000000000003 110.855 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 t70 -68.62 -33.09 73.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.143 -0.48 . . . . 63.43 111.147 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 53' ' ' ASN . 59.2 mt -64.23 -53.15 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.902 0.382 . . . . 64.25 111.127 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 79.2 mt -55.13 -36.95 66.31 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.114 0.483 . . . . 61.409999999999997 110.938 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.542 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 1.5 ttp180 -51.44 -56.02 15.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.605 -0.725 . . . . 74.239999999999995 111.421 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -72.1 -32.82 67.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.837 0.351 . . . . 70.329999999999998 111.47 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.39 -49.48 76.73 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.874 0.368 . . . . 70.439999999999998 111.75 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -71.91 -26.7 62.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.973 0.416 . . . . 73.230000000000004 111.166 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.37 -23.92 66.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.792 0.33 . . . . 73.219999999999999 111.28 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 24' ' ' VAL . 96.2 mt -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.802 0.334 . . . . 74.239999999999995 111.482 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.22 -36.45 22.75 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.89 0.376 . . . . 64.329999999999998 111.52 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.42 -52.68 20.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.173 -0.467 . . . . 73.439999999999998 111.706 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 69' ' ' HIS . 44.7 mt-10 59.06 22.93 11.06 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.406 0.891 . . . . 74.109999999999999 113.406 177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -56.44 80.27 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.487 0.661 . . . . 70.510000000000005 112.101 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 67' ' ' GLU . 39.2 t-80 174.08 -34.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.402 -0.817 . . . . 65.439999999999998 110.409 -176.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -78.7 113.37 16.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.372 -0.377 . . . . 73.430000000000007 111.165 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -144.2 116.95 8.71 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.867 0.365 . . . . 71.010000000000005 111.015 175.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -90.85 136.89 32.77 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.715 0.293 . . . . 75.120000000000005 110.874 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.1 p80 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 119.192 -0.432 . . . . 71.239999999999995 111.795 179.785 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mmm . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.887 0.375 . . . . 72.010000000000005 110.694 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.7 m -158.2 144.59 17.41 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.536 -0.302 . . . . 75.409999999999997 111.109 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -62.86 113.93 3.34 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.56 0.219 . . . . 72.0 110.78 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.51 -44.5 85.08 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.192 0.52 . . . . 61.200000000000003 110.839 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 64.8 m-85 -92.83 92.59 7.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.793 -0.639 . . . . 72.019999999999996 109.335 173.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.8 t -95.3 162.17 13.79 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.352 0.596 . . . . 72.519999999999996 112.088 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.868 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.2 ptpt -69.59 -18.19 63.61 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.029 -0.532 . . . . 64.319999999999993 111.349 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.17 -37.67 66.47 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.892 -0.594 . . . . 74.329999999999998 112.078 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.618 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.1 ptm -70.89 149.47 46.72 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.072 0.463 . . . . 75.340000000000003 111.489 -176.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 30.8 p -80.61 165.42 22.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 112.047 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -56.48 -42.78 78.84 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 61.310000000000002 111.043 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.19 88.05 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.323 -0.399 . . . . 71.120000000000005 111.46 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.523 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 75.6 mt-30 -58.67 -47.15 85.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.005 0.431 . . . . 71.239999999999995 110.872 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.03 74.94 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.35 -0.386 . . . . 71.510000000000005 111.654 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.45 -38.16 71.26 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.368 -0.378 . . . . 73.409999999999997 111.942 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -75.74 -28.6 58.58 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.86 0.319 . . . . 45.350000000000001 111.86 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.1 m -67.93 -43.07 79.99 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 111.744 0.276 . . . . 75.349999999999994 111.744 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -149.21 143.1 16.59 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-O 120.788 0.328 . . . . 64.120000000000005 111.803 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.14 -22.63 22.28 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.751 2.301 . . . . 64.439999999999998 113.543 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.61 -15.34 80.61 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.235 -0.507 . . . . 52.210000000000001 113.625 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.14 -38.34 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.988 0.366 . . . . 74.439999999999998 111.988 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.83 -47.33 64.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.911 0.386 . . . . 44.43 111.76 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.11 -42.17 99.58 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 121.148 -0.548 . . . . 63.030000000000001 112.819 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -62.05 -50.93 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 120.886 0.374 . . . . 75.519999999999996 111.476 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.0 mt -56.6 -47.01 80.52 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.878 0.37 . . . . 73.129999999999995 111.343 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -61.86 -43.28 99.17 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.855 0.36 . . . . 71.120000000000005 111.279 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 t -58.8 -33.65 70.59 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.14 0.495 . . . . 73.129999999999995 111.642 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' CD2' HG12 ' A' ' 57' ' ' ILE . 31.9 m-85 -96.85 25.29 5.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.156 -0.475 . . . . 63.009999999999998 112.024 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 70.47 -17.68 0.27 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.752 0.649 . . . . 65.030000000000001 112.752 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' ILE . 83.2 mt -62.7 -10.32 12.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.416 0.524 . . . . 74.409999999999997 112.416 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.06 -22.21 12.52 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.439 -0.41 . . . . 63.530000000000001 113.817 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 36' ' ' MET . 71.0 m -73.01 3.17 5.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.547 0.573 . . . . 32.130000000000003 112.547 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 30' ' ' LEU . 16.0 pt -54.96 -30.32 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.125 0.417 . . . . 74.299999999999997 112.125 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.13 -41.5 96.99 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.056 -0.592 . . . . 33.350000000000001 112.527 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.6 t -71.57 -55.13 8.39 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.95 0.352 . . . . 72.299999999999997 111.95 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.5 ptm -72.08 -12.06 61.04 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.938 0.718 . . . . 54.32 112.938 -174.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.32 48.54 14.18 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.112 -0.566 . . . . 42.210000000000001 112.819 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' A' ' 33' ' ' ILE . . . -111.11 64.69 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.429 0.633 . . . . 44.030000000000001 110.825 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -99.81 -40.23 7.82 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.345 0.593 . . . . 74.129999999999995 110.448 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -90.04 1.68 56.05 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.539 -0.755 . . . . 74.299999999999997 111.601 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -91.07 143.57 26.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.792 0.329 . . . . 70.140000000000001 111.414 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 35.6 m -71.91 151.21 43.5 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.876 0.369 . . . . 72.129999999999995 111.776 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 6' ' ' THR . 99.4 mt -53.27 -46.14 69.15 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.735 0.642 . . . . 74.239999999999995 112.735 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.868 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 45.5 tt0 -61.87 -46.71 88.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.12 0.486 . . . . 54.32 111.288 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -57.28 -42.03 80.86 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.91 -0.586 . . . . 53.049999999999997 111.226 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.79 88.92 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.067 -0.587 . . . . 53.32 112.931 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.89 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.767 0.317 . . . . 73.219999999999999 111.142 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -51.87 -46.28 64.41 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.92 0.391 . . . . 72.299999999999997 111.355 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.52 70.87 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.375 0.509 . . . . 72.420000000000002 112.375 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -99.24 2.65 45.83 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.003 0.372 . . . . 72.299999999999997 112.003 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.35 35.82 92.43 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.333 -0.461 . . . . 72.230000000000004 113.271 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.3 mt -105.5 157.77 17.14 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.049 0.452 . . . . 75.209999999999994 111.717 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.54 104.47 14.57 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.317 -0.401 . . . . 73.510000000000005 110.755 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 8.1 p -54.48 -38.23 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 112.589 0.589 . . . . 72.140000000000001 112.589 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.09 -41.38 96.55 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.856 0.36 . . . . 73.109999999999999 111.655 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.2 t70 -67.64 -34.69 77.47 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.054 0.455 . . . . 64.420000000000002 110.779 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 30' ' ' LEU . 57.6 mt -65.92 -52.94 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.785 -0.643 . . . . 65.329999999999998 110.947 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 7' ' ' LYS . 80.2 mt -56.97 -34.13 67.77 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.138 -0.483 . . . . 72.329999999999998 111.26 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.8 ttp180 -51.83 -55.63 18.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.006 -0.543 . . . . 71.299999999999997 111.69 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.15 -34.28 68.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.006 0.431 . . . . 63.409999999999997 110.889 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.8 -49.02 78.02 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 74.219999999999999 111.889 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.55 -25.74 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.222 -0.298 . . . . 72.329999999999998 111.304 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -29.39 67.47 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.783 0.325 . . . . 71.430000000000007 110.955 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.09 -32.79 74.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.039 0.447 . . . . 70.409999999999997 111.351 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.22 -38.28 43.45 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.264 0.554 . . . . 34.130000000000003 111.294 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.5 mt -73.63 -36.65 65.47 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.23 -0.441 . . . . 75.420000000000002 111.431 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 66.25 -64.85 0.2 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.682 0.793 . . . . 74.120000000000005 113.053 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -45.54 89.28 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.492 1.293 . . . . 73.329999999999998 114.492 -174.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -100.48 122.7 43.63 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.498 -0.556 . . . . 72.030000000000001 109.498 166.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -72.19 130.18 40.24 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.848 0.356 . . . . 73.340000000000003 111.729 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -65.67 -46.21 79.99 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.938 0.399 . . . . 63.149999999999999 110.946 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -146.04 128.33 15.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.306 -0.406 . . . . 73.319999999999993 110.683 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.826 -0.606 . . . . 75.129999999999995 111.631 179.717 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.63 0.252 . . . . 64.420000000000002 111.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 t -60.28 174.14 0.58 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.49 0.922 . . . . 72.519999999999996 113.49 -174.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -94.81 164.95 12.72 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.699 -0.682 . . . . 72.340000000000003 112.246 -173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -80.53 -53.36 6.64 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.876 0.369 . . . . 74.409999999999997 110.782 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 -82.8 112.48 19.67 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.883 0.373 . . . . 74.540000000000006 110.713 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.3 t -116.44 165.25 13.43 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.245 -0.434 . . . . 65.099999999999994 111.635 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -69.92 -17.75 63.34 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.85 0.357 . . . . 73.150000000000006 111.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.32 -26.48 42.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.637 0.606 . . . . 63.049999999999997 112.637 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.628 ' HG2' ' O ' ' A' ' 6' ' ' THR . 24.9 ptm -78.25 150.53 33.39 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.961 -0.462 . . . . 53.140000000000001 111.148 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.478 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.2 p -82.74 158.6 22.8 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.145 0.424 . . . . 52.420000000000002 112.145 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -53.6 -42.7 67.95 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.012 -0.54 . . . . 75.219999999999999 111.456 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.21 76.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.323 -0.399 . . . . 63.240000000000002 111.326 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.478 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 77.0 mt-30 -58.47 -47.56 83.65 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.435 -0.348 . . . . 75.310000000000002 111.059 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -54.52 -51.09 66.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.265 -0.425 . . . . 74.340000000000003 111.601 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.49 -39.65 84.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.51 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.15 0.41 40.99 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.242 0.46 . . . . 75.340000000000003 112.242 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.483 HG22 ' ND1' ' A' ' 18' ' ' HIS . 86.7 m -101.13 -40.83 7.0 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.068 0.461 . . . . 34.439999999999998 110.977 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' ND1' HG22 ' A' ' 17' ' ' THR . 66.0 m80 -149.3 112.71 3.51 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 122.612 0.365 . . . . 63.119999999999997 110.946 176.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.97 -34.51 22.93 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.964 2.443 . . . . 70.439999999999998 113.75 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.2 -25.43 47.46 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.402 -0.428 . . . . 72.209999999999994 113.739 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 14' ' ' ALA . 87.5 t -55.01 -32.91 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 120.813 0.339 . . . . 62.439999999999998 111.664 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.34 -45.84 72.78 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.969 0.414 . . . . 72.349999999999994 111.647 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.99 89.58 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.104 -0.569 . . . . 63.210000000000001 112.552 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.2 -52.28 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.862 0.363 . . . . 61.100000000000001 111.099 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 83.6 mt -56.3 -47.78 77.99 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.95 0.405 . . . . 73.430000000000007 111.412 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -57.9 -37.0 73.23 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.881 0.372 . . . . 64.430000000000007 111.702 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -62.33 -40.94 98.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.852 0.358 . . . . 62.409999999999997 111.526 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.529 ' HB3' HD13 ' A' ' 52' ' ' LEU . 97.8 m-85 -85.9 1.57 49.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.182 0.438 . . . . 74.420000000000002 112.182 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 68.81 64.72 0.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.558 0.694 . . . . 70.409999999999997 111.045 -174.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.9 mt -128.28 6.4 5.84 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.93 -0.577 . . . . 75.510000000000005 111.33 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.93 68.33 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.823 -0.704 . . . . 63.32 112.89 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.31 -2.1 15.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.467 0.543 . . . . 64.340000000000003 112.467 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -54.26 -32.74 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 112.056 0.391 . . . . 73.510000000000005 112.056 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.33 90.11 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.994 -0.622 . . . . 61.200000000000003 112.63 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.5 m -75.78 -48.51 21.41 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.877 0.37 . . . . 65.019999999999996 111.42 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.5 -7.68 54.78 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.954 0.407 . . . . 65.439999999999998 111.837 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.83 32.24 64.01 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 121.272 -0.49 . . . . 63.549999999999997 113.707 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.1 20.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.401 0.519 . . . . 51.509999999999998 112.401 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -63.27 -35.22 79.63 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.133 0.42 . . . . 64.310000000000002 112.133 -177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -93.75 5.58 51.19 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.75 0.309 . . . . 71.230000000000004 111.52 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -98.95 148.16 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.924 0.392 . . . . 63.119999999999997 111.802 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 96.6 p -71.56 154.65 41.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.173 -0.467 . . . . 42.420000000000002 111.837 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.8 mt -52.69 -46.76 67.41 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.997 0.74 . . . . 71.510000000000005 112.997 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.618 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 43.7 tt0 -65.17 -44.83 87.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.135 0.42 . . . . 70.239999999999995 112.135 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.54 -52.94 63.53 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.549 0.214 . . . . 62.509999999999998 111.147 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.43 94.81 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 121.119 -0.562 . . . . 74.420000000000002 113.211 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.21 24.58 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.851 0.358 . . . . 24.449999999999999 111.565 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -62.35 -31.31 71.94 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.645 0.26 . . . . 63.100000000000001 111.574 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.69 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.021 0.439 . . . . 74.200000000000003 111.336 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -101.91 11.18 38.99 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.304 -0.407 . . . . 72.129999999999995 111.599 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.92 52.99 40.5 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.335 -0.46 . . . . 53.530000000000001 113.209 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 28' ' ' TYR . 75.8 mt -126.4 163.97 22.12 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.182 0.515 . . . . 71.519999999999996 111.947 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -101.05 100.2 10.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.957 -0.565 . . . . 72.230000000000004 110.525 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 p -57.84 -31.26 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 N-CA-C 112.185 0.439 . . . . 73.530000000000001 112.185 -176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -55.88 -46.31 78.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.212 0.529 . . . . 75.129999999999995 111.223 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.419 ' CG ' HH21 ' A' ' 59' ' ' ARG . 36.9 t70 -69.79 -39.0 76.85 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.873 -0.603 . . . . 71.230000000000004 110.746 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.6 mt -60.0 -46.98 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 111.109 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.2 mt -55.88 -42.83 76.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.497 -0.32 . . . . 74.540000000000006 111.102 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.419 HH21 ' CG ' ' A' ' 56' ' ' ASP . 31.1 ttp85 -52.61 -54.97 25.89 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.079 -0.51 . . . . 75.530000000000001 111.127 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.74 74.36 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 111.24 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 83.7 mt -67.31 -51.02 57.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.452 -0.34 . . . . 74.329999999999998 111.84 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.503 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 46.6 m-80 -68.22 -27.6 66.51 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.934 0.397 . . . . 72.430000000000007 111.102 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -29.29 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.224 -0.444 . . . . 51.229999999999997 111.655 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.27 -24.41 67.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 112.038 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -102.14 -27.52 12.85 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 51.119999999999997 111.952 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.3 mt -81.23 -18.51 45.82 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.156 0.428 . . . . 73.040000000000006 112.156 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 68.33 -78.52 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.754 0.421 . . . . 51.219999999999999 112.089 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 71' ' ' HIS . 9.8 p80 40.97 16.52 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.386 1.254 . . . . 73.450000000000003 114.386 -174.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -113.31 -63.6 1.42 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.433 0.635 . . . . 74.140000000000001 109.365 169.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -65.71 -14.17 60.74 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.088 -0.96 . . . . 73.409999999999997 111.297 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 86.4 t60 -148.71 104.66 3.49 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.46 -0.336 . . . . 64.319999999999993 111.0 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -157.07 117.02 3.47 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.892 0.377 . . . . 74.430000000000007 111.505 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.0 m80 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.908 -0.568 . . . . 74.239999999999995 111.743 177.172 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.7 pmm? . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 112.133 0.42 . . . . 72.140000000000001 112.133 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.7 m -98.47 140.39 32.79 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.465 0.542 . . . . 63.130000000000003 112.465 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -102.81 133.69 47.46 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.099 -0.501 . . . . 72.230000000000004 110.492 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -68.12 -46.63 70.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.246 0.546 . . . . 73.219999999999999 110.643 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.571 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 -98.11 119.61 37.06 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.813 -0.63 . . . . 73.230000000000004 110.424 176.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.2 t -123.85 156.28 36.49 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.026 -0.534 . . . . 50.350000000000001 111.799 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.1 ptpt -59.16 -21.09 58.84 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.87 0.366 . . . . 72.409999999999997 111.864 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.8 -38.17 73.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.874 -0.603 . . . . 64.430000000000007 112.598 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.0 ptm -75.1 154.99 37.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 75.239999999999995 111.956 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 42.7 p -84.96 162.95 19.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.186 0.439 . . . . 74.549999999999997 112.186 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 87.1 m-85 -54.26 -41.45 68.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.103 -0.498 . . . . 73.409999999999997 111.262 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -60.26 -48.55 81.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.953 0.406 . . . . 71.299999999999997 111.41 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 74.6 mt-30 -56.87 -44.45 82.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.977 0.418 . . . . 75.510000000000005 110.982 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.39 70.2 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.167 -0.47 . . . . 53.450000000000003 111.602 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 97.5 mt -55.99 -36.74 68.23 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.998 0.428 . . . . 74.120000000000005 111.676 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.84 -20.11 58.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.244 0.461 . . . . 73.340000000000003 112.244 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.5 m -83.27 -36.72 24.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 111.862 0.319 . . . . 64.109999999999999 111.862 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -150.18 125.64 4.91 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 122.386 0.275 . . . . 72.230000000000004 111.473 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.26 -31.07 92.79 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.584 2.189 . . . . 70.329999999999998 113.064 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -22.72 65.82 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.261 -0.495 . . . . 42.149999999999999 113.596 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.7 -37.78 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 111.79 0.293 . . . . 61.350000000000001 111.79 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.38 -47.22 72.91 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.927 0.394 . . . . 53.030000000000001 111.397 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.49 -43.83 91.51 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.108 -0.568 . . . . 43.340000000000003 112.585 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -52.19 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.956 0.408 . . . . 63.420000000000002 111.434 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.18 -42.22 85.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.592 -0.276 . . . . 54.340000000000003 111.371 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -59.69 -38.17 80.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.049 0.452 . . . . 74.420000000000002 111.242 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -65.24 -30.59 71.49 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.163 0.506 . . . . 65.129999999999995 111.246 176.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.453 ' CD2' HG12 ' A' ' 57' ' ' ILE . 42.2 m-85 -93.61 13.59 21.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.481 0.548 . . . . 72.140000000000001 112.481 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.2 t30 67.64 24.29 8.53 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 121.603 0.716 . . . . 73.340000000000003 111.75 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.8 mt -106.78 14.82 26.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.044 -0.525 . . . . 74.319999999999993 111.485 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -16.99 67.56 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 114.446 0.538 . . . . 62.32 114.446 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.9 m -72.51 -8.3 54.43 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.889 0.7 . . . . 51.340000000000003 112.889 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 30' ' ' LEU . 29.0 pt -51.21 -42.17 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.383 0.882 . . . . 52.43 113.383 -175.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.53 -42.07 89.22 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.716 -0.754 . . . . 64.519999999999996 113.411 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -72.0 -39.06 69.5 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.398 0.518 . . . . 65.219999999999999 112.398 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.2 ptm -85.79 -8.78 57.9 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.073 0.398 . . . . 71.239999999999995 112.073 -177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.8 23.55 61.81 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 121.032 -0.604 . . . . 34.420000000000002 113.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.36 16.47 0.61 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.38 0.511 . . . . 62.240000000000002 112.38 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.596 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 31.5 mm-40 -59.44 -26.03 64.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.093 0.473 . . . . 75.319999999999993 111.592 178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -87.72 -1.25 57.84 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.104 -0.498 . . . . 31.210000000000001 112.066 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -95.94 135.6 37.48 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.897 0.38 . . . . 75.230000000000004 111.938 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 73.7 m -70.05 151.36 45.61 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.487 -0.324 . . . . 65.519999999999996 111.567 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -52.32 -50.39 62.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.615 0.598 . . . . 52.25 112.615 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.779 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.8 tt0 -63.06 -41.41 99.46 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.206 -0.309 . . . . 70.510000000000005 111.685 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.44 -54.71 42.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.942 0.401 . . . . 72.129999999999995 110.819 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.28 97.26 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.216 -0.516 . . . . 74.409999999999997 113.44 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.23 -59.98 4.04 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.867 0.365 . . . . 65.010000000000005 111.412 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -63.16 -35.2 79.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.66 0.266 . . . . 73.120000000000005 111.474 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.09 -16.62 64.1 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.008 0.373 . . . . 53.329999999999998 112.008 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -112.75 10.66 19.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.771 0.319 . . . . 71.209999999999994 111.66 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.29 40.37 49.36 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 121.585 -0.34 . . . . 52.399999999999999 113.58 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 mt -127.33 151.05 49.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.437 -0.449 . . . . 42.299999999999997 111.279 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.63 116.08 27.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 110.075 -0.343 . . . . 64.010000000000005 110.075 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.9 p -56.55 -34.71 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.031 0.382 . . . . 54.32 112.031 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -61.59 -38.5 87.78 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.023 0.379 . . . . 73.299999999999997 112.023 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.85 -37.44 84.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.256 0.55 . . . . 72.5 110.108 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.453 HG12 ' CD2' ' A' ' 28' ' ' TYR . 39.6 mt -68.77 -46.24 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.778 -0.647 . . . . 74.439999999999998 111.144 178.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.9 mt -56.38 -32.89 65.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.169 -0.469 . . . . 71.439999999999998 111.768 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -54.95 -56.03 24.16 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.985 0.422 . . . . 71.010000000000005 111.26 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.32 -38.52 87.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.152 -0.476 . . . . 53.210000000000001 110.92 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.69 -51.5 68.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.26 -0.427 . . . . 72.209999999999994 111.853 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -66.29 -29.41 69.62 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.257 -0.277 . . . . 73.439999999999998 111.239 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.35 65.82 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.721 0.296 . . . . 53.399999999999999 111.593 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.26 -30.6 71.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.051 0.453 . . . . 74.239999999999995 111.456 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.16 -41.86 10.77 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.01 0.374 . . . . 75.319999999999993 112.01 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.1 mt -77.12 -44.53 30.08 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.962 0.41 . . . . 72.040000000000006 111.78 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 61.96 -87.94 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.125 0.57 . . . . 63.210000000000001 112.307 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.1 p80 41.45 24.01 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.255 0.835 . . . . 71.540000000000006 113.255 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -108.91 105.92 15.67 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.627 -0.509 . . . . 73.400000000000006 109.627 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -109.39 174.41 5.88 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.114 0.783 . . . . 74.540000000000006 113.114 -169.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -120.99 115.15 22.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 111.869 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -87.16 174.37 8.67 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.55 -0.296 . . . . 61.420000000000002 110.318 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.796 -0.621 . . . . 75.030000000000001 111.393 179.498 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.0 tpp . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 120.388 0.137 . . . . 63.409999999999997 110.765 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -56.45 116.99 3.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.556 0.576 . . . . 74.239999999999995 112.556 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -102.94 127.16 50.27 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.988 -0.375 . . . . 74.439999999999998 109.988 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -63.08 -29.0 70.46 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.48 0.548 . . . . 72.109999999999999 112.48 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 88.0 m-85 -106.24 113.34 26.81 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.863 0.363 . . . . 62.439999999999998 110.66 175.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.564 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.8 t -126.01 163.85 22.14 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.051 0.453 . . . . 65.25 111.965 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -63.46 -19.62 64.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.345 -0.388 . . . . 73.310000000000002 111.746 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.35 -44.79 78.16 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.947 -0.57 . . . . 74.430000000000007 112.358 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -69.55 153.73 43.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.122 0.487 . . . . 65.510000000000005 111.843 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.4 p -91.16 167.34 12.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.268 -0.424 . . . . 71.010000000000005 112.049 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -57.87 -42.57 84.81 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.082 -0.508 . . . . 70.129999999999995 111.393 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -58.93 -43.79 91.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.886 0.374 . . . . 74.430000000000007 111.2 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.55 -42.51 98.36 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.229 -0.441 . . . . 73.310000000000002 111.211 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -59.73 -46.08 90.22 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.38 -0.373 . . . . 72.230000000000004 111.639 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -30.01 69.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.898 0.38 . . . . 73.349999999999994 111.601 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.3 mm-40 -78.44 -31.8 48.23 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.859 0.362 . . . . 75.430000000000007 111.33 176.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -65.07 -52.61 54.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.004 0.43 . . . . 75.349999999999994 111.077 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.47 122.83 6.21 Favored Pre-proline 0 N--CA 1.472 0.661 0 CA-C-N 116.388 -0.369 . . . . 72.209999999999994 111.234 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.08 -29.41 65.37 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.696 2.264 . . . . 75.340000000000003 112.969 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -19.43 61.84 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 121.355 -0.45 . . . . 41.439999999999998 113.77 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG11 ' HB1' ' A' ' 14' ' ' ALA . 79.3 t -58.1 -35.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.835 0.318 . . . . 65.310000000000002 111.614 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.37 63.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.95 0.405 . . . . 61.409999999999997 111.334 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -37.81 94.45 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.106 -0.568 . . . . 73.549999999999997 113.098 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 64' ' ' LEU . 59.9 t -63.89 -46.66 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.955 0.407 . . . . 72.25 110.962 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 87.6 mt -58.37 -48.64 79.96 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.266 -0.425 . . . . 41.32 110.722 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -57.39 -44.07 84.19 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.169 0.509 . . . . 74.310000000000002 110.963 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.08 -36.01 76.44 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.898 -0.592 . . . . 72.019999999999996 111.647 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.5 10.32 25.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.513 0.561 . . . . 72.219999999999999 112.513 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 t30 67.25 20.52 10.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.716 0.769 . . . . 64.519999999999996 111.486 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 33' ' ' ILE . 96.5 mt -90.17 -1.45 57.94 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.078 -0.51 . . . . 62.329999999999998 111.63 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.31 -22.6 30.81 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.339 -0.458 . . . . 42.329999999999998 113.566 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.8 m -65.26 -2.34 2.96 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.886 0.698 . . . . 74.109999999999999 112.886 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 30' ' ' LEU . 22.6 pt -56.91 -22.71 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 112.481 0.548 . . . . 75.140000000000001 112.481 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.93 -52.11 40.21 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.159 -0.543 . . . . 63.530000000000001 113.314 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.7 t -72.71 -41.1 65.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.022 0.379 . . . . 62.409999999999997 112.022 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -75.39 -9.69 58.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.663 0.268 . . . . 74.25 111.588 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 37.53 93.88 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.323 -0.465 . . . . 74.540000000000006 113.337 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 12.83 3.51 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.245 0.461 . . . . 71.109999999999999 112.245 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -57.71 -42.46 83.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.124 0.488 . . . . 71.310000000000002 111.175 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -89.58 14.73 10.85 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.857 -0.61 . . . . 63.149999999999999 111.823 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.29 139.22 45.7 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.712 0.291 . . . . 72.310000000000002 111.199 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 63.0 m -64.84 151.23 46.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.252 0.464 . . . . 74.150000000000006 112.252 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 9' ' ' MET . 91.3 mt -52.1 -46.84 65.43 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.411 0.522 . . . . 52.039999999999999 112.411 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.6 tt0 -63.5 -42.94 98.51 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 122.149 -0.345 . . . . 52.030000000000001 111.464 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -57.79 -55.62 32.46 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.891 0.377 . . . . 71.200000000000003 111.013 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.62 -36.95 93.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.177 -0.535 . . . . 72.400000000000006 113.024 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.67 -58.76 6.93 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.603 -0.351 . . . . 45.119999999999997 111.149 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -60.18 -35.01 74.41 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.693 0.283 . . . . 72.5 111.238 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.66 71.21 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.956 0.408 . . . . 53.229999999999997 111.333 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.66 0.16 49.35 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.995 0.426 . . . . 74.230000000000004 111.517 175.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 45.25 71.24 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 116.368 -0.378 . . . . 53.32 113.439 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.4 mt -125.87 148.43 49.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.907 0.385 . . . . 73.319999999999993 111.663 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -70.72 109.71 5.1 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.348 -0.387 . . . . 72.349999999999994 111.154 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.464 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.4 p -58.34 -35.42 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 112.251 0.463 . . . . 62.43 112.251 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.6 -46.41 85.94 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.003 0.371 . . . . 74.120000000000005 112.003 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 26.2 t70 -64.41 -34.23 77.69 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.891 0.376 . . . . 51.520000000000003 110.62 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.53 HD13 HD11 ' A' ' 30' ' ' LEU . 63.5 mt -62.78 -47.36 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.165 0.507 . . . . 64.120000000000005 110.592 173.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 91.9 mt -57.71 -32.39 67.34 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.03 -0.532 . . . . 74.219999999999999 111.501 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 57.8 ttp85 -56.39 -55.12 37.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.878 0.37 . . . . 72.409999999999997 111.245 175.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.85 -41.0 96.04 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.141 0.496 . . . . 70.209999999999994 110.87 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.25 -51.69 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.298 -0.41 . . . . 73.329999999999998 111.991 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 47.8 m-80 -66.71 -25.78 66.7 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.203 -0.31 . . . . 74.25 111.147 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.27 70.89 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.73 0.3 . . . . 63.020000000000003 110.944 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 24' ' ' VAL . 91.9 mt -68.69 -25.18 64.66 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.09 0.471 . . . . 73.519999999999996 111.217 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.58 -48.2 12.08 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.964 0.411 . . . . 61.119999999999997 111.127 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.62 -59.32 2.9 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.058 -0.519 . . . . 72.120000000000005 111.614 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 63.95 -66.08 0.12 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.322 0.649 . . . . 74.230000000000004 112.022 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -57.16 119.75 6.9 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.086 0.47 . . . . 73.340000000000003 111.236 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -75.13 -22.78 57.93 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.049 0.452 . . . . 63.109999999999999 111.476 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -75.53 134.86 40.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.9 0.381 . . . . 74.329999999999998 110.387 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -142.62 142.79 32.16 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.722 0.296 . . . . 55.340000000000003 111.432 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -85.28 -21.97 28.77 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 111.737 0.273 . . . . 70.219999999999999 111.737 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.0 m170 . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.657 -0.687 . . . . 73.530000000000001 111.056 174.167 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.496 0.189 . . . . 73.439999999999998 110.619 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 t -137.7 144.38 41.73 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.06 0.457 . . . . 72.340000000000003 112.153 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -96.13 118.59 33.02 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.241 -0.436 . . . . 74.439999999999998 111.616 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -71.84 -27.44 62.9 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.023 0.44 . . . . 74.310000000000002 110.473 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -108.17 98.18 7.77 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.356 -0.609 . . . . 73.120000000000005 109.356 169.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.568 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.7 t -106.23 174.85 5.71 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.49 0.552 . . . . 72.239999999999995 112.49 -174.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.743 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.3 ptpt -84.34 -19.85 32.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.335 -0.393 . . . . 64.519999999999996 112.01 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.04 -32.81 61.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 72.310000000000002 111.507 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 6' ' ' THR . 21.9 ptm -70.66 146.1 50.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.007 0.432 . . . . 74.409999999999997 111.153 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 21.4 p -78.44 160.57 27.65 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.912 0.386 . . . . 63.409999999999997 111.743 -177.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' HB3' HD12 ' A' ' 33' ' ' ILE . 87.9 m-85 -53.2 -41.46 65.32 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.162 -0.472 . . . . 74.109999999999999 111.334 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.47 79.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.412 -0.358 . . . . 70.120000000000005 111.324 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 76.8 mt-30 -55.97 -48.56 75.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.019 0.438 . . . . 62.340000000000003 110.869 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.34 -50.07 75.39 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.174 -0.466 . . . . 64.209999999999994 111.969 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD21 HD12 ' A' ' 25' ' ' LEU . 97.6 mt -59.03 -33.72 71.07 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.946 0.403 . . . . 75.510000000000005 111.842 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -80.07 -17.79 51.75 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 111.869 0.322 . . . . 72.5 111.869 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -74.6 -59.17 2.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.9 0.381 . . . . 73.409999999999997 110.868 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.02 123.37 9.51 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 122.722 0.409 . . . . 61.030000000000001 110.852 176.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.03 -23.57 53.0 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.815 2.343 . . . . 61.439999999999998 113.302 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -30.0 66.0 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 121.297 -0.478 . . . . 64.109999999999999 113.16 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.433 HG13 HD22 ' A' ' 61' ' ' LEU . 99.3 t -54.24 -35.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 122.395 0.278 . . . . 62.520000000000003 111.558 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.04 77.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.485 -0.325 . . . . 60.409999999999997 111.698 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -43.18 99.34 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.158 -0.544 . . . . 52.210000000000001 112.821 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.34 -49.01 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.929 0.395 . . . . 51.409999999999997 111.53 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 HD12 HD21 ' A' ' 15' ' ' LEU . 87.6 mt -58.35 -47.56 83.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.097 0.475 . . . . 73.019999999999996 111.224 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -62.74 -30.31 71.34 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.474 -0.33 . . . . 54.219999999999999 111.254 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 t -67.12 -38.86 86.34 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.07 0.462 . . . . 73.230000000000004 111.413 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 52' ' ' LEU . 23.8 m-85 -84.09 3.04 36.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.338 0.495 . . . . 73.150000000000006 112.338 178.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 70.7 63.33 0.19 Allowed 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.797 0.808 . . . . 52.340000000000003 111.192 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 33' ' ' ILE . 95.9 mt -133.55 13.34 4.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.595 -0.73 . . . . 55.329999999999998 110.735 175.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.65 -21.76 67.37 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.929 -0.653 . . . . 40.420000000000002 113.665 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 36' ' ' MET . 50.9 t -77.18 -1.04 27.38 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.299 0.481 . . . . 51.32 112.299 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.498 HG23 ' O ' ' A' ' 30' ' ' LEU . 14.1 pt -52.4 -32.75 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 112.749 0.648 . . . . 74.239999999999995 112.749 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.19 -45.54 70.29 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.726 -0.749 . . . . 64.230000000000004 112.326 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 60.3 m -67.25 -50.88 58.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.749 0.309 . . . . 62.409999999999997 111.748 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.4 ptm -74.93 2.72 9.7 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.402 0.519 . . . . 72.109999999999999 112.402 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.37 13.45 79.85 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 114.152 0.421 . . . . 31.140000000000001 114.152 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 5.2 3.17 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.732 0.641 . . . . 73.150000000000006 112.732 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.4 -38.94 75.11 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.817 0.341 . . . . 74.439999999999998 111.842 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.73 5.41 43.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.925 0.393 . . . . 75.030000000000001 111.574 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 45' ' ' GLN . 29.0 tt0 -103.64 147.05 27.68 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.629 -0.26 . . . . 50.43 110.837 -177.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.522 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 95.9 p -70.22 151.13 45.7 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.018 0.437 . . . . 71.019999999999996 111.901 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 6' ' ' THR . 86.3 mt -52.58 -40.3 62.46 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.753 0.649 . . . . 64.400000000000006 112.753 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.9 tt0 -66.93 -43.07 84.23 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.833 0.308 . . . . 73.209999999999994 111.833 -177.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 78.8 mt-30 -61.22 -52.18 65.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.781 0.324 . . . . 74.239999999999995 111.124 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.74 -35.45 86.33 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 121.01 -0.614 . . . . 53.119999999999997 112.87 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.5 -56.92 15.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.818 0.342 . . . . 63.130000000000003 111.156 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -58.27 -36.11 72.79 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.621 0.248 . . . . 73.540000000000006 111.453 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.07 81.24 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.435 -0.348 . . . . 74.340000000000003 111.86 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -90.74 -0.23 57.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.824 0.305 . . . . 55.439999999999998 111.824 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.72 55.16 6.1 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 121.306 -0.473 . . . . 64.340000000000003 112.811 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 28' ' ' TYR . 92.1 mt -128.86 140.21 51.8 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.035 0.445 . . . . 72.420000000000002 111.796 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -71.97 103.3 3.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.227 -0.442 . . . . 72.409999999999997 110.975 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.47 -35.38 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 116.087 -0.506 . . . . 72.109999999999999 112.305 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.82 -36.87 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.697 0.284 . . . . 72.239999999999995 111.664 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.42 -32.45 64.42 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.017 0.437 . . . . 70.420000000000002 110.72 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.06 -55.14 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.117 -0.492 . . . . 74.219999999999999 111.348 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 7' ' ' LYS . 81.9 mt -55.85 -35.58 66.6 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.131 0.491 . . . . 74.219999999999999 110.992 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 59' ' ' ARG . 2.1 ttp180 -51.42 -55.67 17.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.611 -0.722 . . . . 73.5 111.675 175.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.71 -33.19 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.954 0.406 . . . . 75.209999999999994 111.2 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD22 HG13 ' A' ' 21' ' ' VAL . 83.6 mt -62.43 -51.46 67.45 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 111.955 0.354 . . . . 74.200000000000003 111.955 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.071 -0.393 . . . . 63.200000000000003 111.117 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.92 71.79 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.695 0.283 . . . . 74.319999999999993 111.225 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.84 -35.03 72.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.274 0.559 . . . . 75.239999999999995 111.183 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.49 -33.76 47.94 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.999 -0.546 . . . . 75.150000000000006 111.431 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.9 mt -85.72 -15.26 42.8 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.157 -0.474 . . . . 65.140000000000001 112.095 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 59.91 -79.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.018 0.527 . . . . 75.310000000000002 112.045 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.3 p80 47.69 114.92 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.299 1.222 . . . . 73.25 114.299 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -150.19 149.41 30.17 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.926 -0.483 . . . . 64.329999999999998 110.652 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -66.66 147.53 53.14 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.994 0.426 . . . . 72.239999999999995 111.972 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -64.25 144.82 56.86 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.081 -0.509 . . . . 74.209999999999994 111.924 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -136.31 132.85 36.23 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.867 0.365 . . . . 61.240000000000002 110.86 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.815 -0.612 . . . . 52.539999999999999 111.514 179.263 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.649 0.261 . . . . 75.430000000000007 111.051 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.6 m -65.81 115.36 5.86 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.349 -0.387 . . . . 61.130000000000003 111.62 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -119.0 144.2 46.65 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.993 0.425 . . . . 71.25 111.344 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 6.3 mmpt? -80.86 -34.45 33.72 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.815 0.341 . . . . 62.409999999999997 111.693 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.663 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.7 m-85 -117.85 124.72 49.03 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.049 0.452 . . . . 54.240000000000002 111.899 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -125.09 161.94 25.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.93 -0.577 . . . . 53.219999999999999 111.517 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.1 ptpt -64.49 -28.25 69.53 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.29 0.478 . . . . 63.350000000000001 112.29 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.39 4.17 54.41 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.702 0.63 . . . . 63.149999999999999 112.702 -171.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 25.7 ptm -94.18 153.33 18.14 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.891 -0.506 . . . . 63.219999999999999 110.721 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.497 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.4 p -76.48 152.33 36.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.24 0.459 . . . . 74.209999999999994 112.24 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -54.68 -37.71 66.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.23 -0.441 . . . . 70.450000000000003 111.434 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -51.23 70.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.438 -0.346 . . . . 61.219999999999999 111.51 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 77.4 mt-30 -57.33 -42.97 82.93 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.465 -0.334 . . . . 74.310000000000002 111.337 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.24 -50.06 74.07 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.013 0.435 . . . . 72.030000000000001 111.178 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.56 -40.37 91.38 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.559 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -68.68 -16.79 63.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.985 0.365 . . . . 71.25 111.985 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.4 m -82.71 -52.95 6.29 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.694 0.283 . . . . 74.209999999999994 111.325 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -145.28 128.83 8.53 Favored Pre-proline 0 N--CA 1.476 0.857 0 O-C-N 122.343 -0.223 . . . . 74.239999999999995 111.156 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.83 -35.2 87.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.826 2.35 . . . . 74.200000000000003 113.511 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -19.13 31.55 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 113.987 0.355 . . . . 63.43 113.987 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.415 HG11 ' HB1' ' A' ' 14' ' ' ALA . 89.8 t -58.53 -32.25 45.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 116.837 0.318 . . . . 61.109999999999999 111.12 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.23 82.39 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.916 0.389 . . . . 64.310000000000002 111.281 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.13 98.03 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.21 -0.519 . . . . 63.310000000000002 112.96 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 64' ' ' LEU . 62.1 t -62.77 -50.69 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.812 0.339 . . . . 74.040000000000006 111.194 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.89 -46.96 81.55 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.721 0.296 . . . . 63.310000000000002 111.118 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -63.92 -31.54 72.76 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 122.263 -0.273 . . . . 74.310000000000002 111.276 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 47.6 t -61.3 -30.65 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.999 0.428 . . . . 54.149999999999999 110.991 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -97.62 18.17 16.15 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.62 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.43 28.7 18.14 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.279 0.562 . . . . 74.430000000000007 111.769 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 33' ' ' ILE . 73.2 mt -97.26 6.99 47.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 122.55 0.34 . . . . 63.039999999999999 111.446 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.95 -27.43 62.15 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.173 -0.537 . . . . 52.539999999999999 114.256 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -73.89 3.58 6.5 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.902 0.705 . . . . 62.149999999999999 112.902 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 30' ' ' LEU . 18.6 pt -52.21 -36.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 122.14 -0.35 . . . . 70.019999999999996 111.862 176.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.23 74.75 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.135 -0.555 . . . . 43.450000000000003 112.953 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -82.12 -40.96 21.14 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.91 0.386 . . . . 64.409999999999997 111.617 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -88.24 9.34 23.36 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.195 0.443 . . . . 74.109999999999999 112.195 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.42 24.51 67.67 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.366 -0.445 . . . . 63.420000000000002 113.872 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.34 7.32 6.67 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.31 -0.524 . . . . 71.120000000000005 111.869 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -57.89 -39.23 77.39 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.056 0.455 . . . . 75.329999999999998 111.357 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -91.5 12.57 20.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.041 -0.527 . . . . 74.219999999999999 111.568 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 10' ' ' THR . 34.3 tt0 -107.28 152.15 24.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.52 -0.309 . . . . 75.430000000000007 111.104 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 m -71.85 149.92 44.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.936 0.398 . . . . 52.420000000000002 112.012 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -54.42 -43.48 71.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.039 -0.528 . . . . 71.329999999999998 112.328 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.641 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 46.4 tt0 -60.68 -43.62 97.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.862 0.363 . . . . 73.319999999999993 111.899 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.31 -50.94 69.66 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.346 -0.388 . . . . 70.239999999999995 111.3 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.59 -36.77 90.75 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.025 -0.607 . . . . 54.549999999999997 112.787 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.88 29.47 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.735 0.302 . . . . 75.319999999999993 111.066 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -60.51 -31.7 70.75 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.74 -0.209 . . . . 65.439999999999998 111.406 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -27.96 68.56 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.937 0.399 . . . . 65.140000000000001 111.886 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -106.11 8.97 32.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 111.901 0.334 . . . . 64.430000000000007 111.901 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 44.86 88.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.234 -0.508 . . . . 51.450000000000003 113.181 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.1 mt -123.32 164.75 18.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.911 0.386 . . . . 74.519999999999996 111.578 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -98.16 112.7 24.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.251 -0.431 . . . . 72.450000000000003 110.931 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.502 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 10.6 p -57.43 -33.92 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 116.196 -0.456 . . . . 74.140000000000001 111.963 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.3 -34.44 75.23 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.004 0.431 . . . . 73.519999999999996 111.621 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.536 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 39.0 t70 -72.33 -37.54 68.86 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.022 0.439 . . . . 70.450000000000003 110.922 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.57 -47.84 87.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.687 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.51 -34.37 64.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.984 -0.553 . . . . 74.420000000000002 111.437 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.1 ttp85 -51.35 -56.57 12.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.023 0.44 . . . . 54.399999999999999 111.594 174.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.72 -32.87 66.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.379 -0.373 . . . . 72.230000000000004 111.306 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.16 -52.23 60.02 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.364 0.505 . . . . 60.43 112.364 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.82 -27.72 67.78 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.096 -0.378 . . . . 74.230000000000004 111.167 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.7 69.69 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.82 0.343 . . . . 74.439999999999998 111.052 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 24' ' ' VAL . 91.8 mt -62.08 -25.33 67.64 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.899 0.381 . . . . 62.350000000000001 111.536 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.8 -17.08 36.73 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.876 0.37 . . . . 51.009999999999998 111.629 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -93.56 -52.47 4.47 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.418 -0.355 . . . . 62.149999999999999 111.48 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 70.22 -50.99 0.65 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.681 0.792 . . . . 75.319999999999993 113.092 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -61.57 114.36 3.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.308 0.575 . . . . 74.140000000000001 111.126 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -77.2 124.71 28.21 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.764 -0.653 . . . . 72.099999999999994 111.774 -171.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -87.64 135.91 33.17 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.064 0.459 . . . . 71.510000000000005 111.031 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -69.72 110.6 4.99 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.646 0.61 . . . . 73.519999999999996 112.646 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -166.55 142.87 4.73 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 111.142 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.251 1.142 0 CA-C-N 116.366 -0.379 . . . . 51.229999999999997 111.845 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.519 0.2 . . . . 71.310000000000002 111.111 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -60.81 105.32 0.44 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.113 0.482 . . . . 61.210000000000001 111.745 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -91.5 177.97 6.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.209 0.528 . . . . 71.099999999999994 111.664 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -16.22 10.65 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.08 0.467 . . . . 75.030000000000001 111.447 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 -131.2 127.77 38.6 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.13 -0.486 . . . . 75.319999999999993 110.872 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.1 t -135.76 154.17 51.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.2 -0.455 . . . . 53.399999999999999 111.366 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.2 ptpt -60.83 -19.23 59.43 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.911 0.386 . . . . 74.310000000000002 111.822 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.37 -36.92 71.62 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.89 -0.595 . . . . 65.25 112.236 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.61 ' HG2' ' O ' ' A' ' 6' ' ' THR . 18.5 ptm -70.9 155.36 40.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.175 0.512 . . . . 72.409999999999997 111.536 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 71.5 p -83.46 159.18 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 62.43 111.908 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HE2' HD13 ' A' ' 30' ' ' LEU . 86.7 m-85 -54.59 -40.86 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.266 -0.425 . . . . 74.040000000000006 111.372 176.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.08 84.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.468 -0.333 . . . . 61.030000000000001 111.473 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 78.1 mt-30 -61.16 -45.17 95.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.617 -0.265 . . . . 74.540000000000006 111.499 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.81 71.79 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.811 0.339 . . . . 75.319999999999993 111.486 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -56.58 -35.99 68.84 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.247 -0.433 . . . . 34.240000000000002 111.723 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -80.05 -24.93 40.36 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.459 0.541 . . . . 55.520000000000003 112.459 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HD2' ' A' ' 18' ' ' HIS . 79.6 m -71.21 -45.79 62.59 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.051 0.453 . . . . 65.129999999999995 110.594 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' HD2' HG22 ' A' ' 17' ' ' THR . 18.8 m-70 -147.42 118.57 4.55 Favored Pre-proline 0 N--CA 1.474 0.739 0 CA-C-N 116.379 -0.373 . . . . 64.200000000000003 111.031 174.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.22 -23.65 37.92 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.797 2.331 . . . . 74.530000000000001 113.49 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.41 -20.58 61.29 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 121.397 -0.43 . . . . 74.019999999999996 113.063 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.04 -30.67 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.294 0.238 . . . . 71.530000000000001 111.383 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -53.44 -49.12 68.03 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.921 0.391 . . . . 64.409999999999997 111.413 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.17 96.41 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.109 -0.567 . . . . 75.540000000000006 112.594 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 64' ' ' LEU . 46.6 t -59.16 -49.66 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.992 0.425 . . . . 74.239999999999995 111.501 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.46 -51.77 67.18 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.268 -0.424 . . . . 74.120000000000005 111.222 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 48.5 mtp180 -58.92 -37.38 76.52 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.011 0.434 . . . . 63.340000000000003 110.733 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 t -61.8 -30.17 70.64 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.003 -0.544 . . . . 62.450000000000003 111.812 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -106.05 29.75 6.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.195 0.442 . . . . 73.439999999999998 112.195 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 67.41 6.8 5.12 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.692 0.627 . . . . 71.25 112.692 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.2 mt -91.79 11.63 24.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.719 -0.613 . . . . 44.130000000000003 111.815 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.93 -14.53 70.69 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.963 -0.637 . . . . 41.439999999999998 113.408 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.7 m -93.59 11.24 29.47 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.354 0.502 . . . . 73.150000000000006 112.354 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.61 -35.4 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.374 0.509 . . . . 74.430000000000007 112.374 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.82 -24.09 74.2 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.024 -0.607 . . . . 53.520000000000003 113.152 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.1 m -85.92 -49.9 7.5 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.813 0.34 . . . . 71.230000000000004 111.282 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.46 -21.43 62.79 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.994 0.368 . . . . 65.129999999999995 111.994 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.79 65.86 1.28 Allowed Glycine 0 CA--C 1.525 0.704 0 C-N-CA 121.123 -0.56 . . . . 54.329999999999998 112.76 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.05 10.5 6.95 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.239 0.829 . . . . 52.32 113.239 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.6 -41.27 85.43 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.812 -0.555 . . . . 73.329999999999998 111.768 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -93.0 13.09 21.77 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.255 -0.43 . . . . 74.049999999999997 111.305 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -106.99 150.33 26.6 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.423 -0.353 . . . . 74.209999999999994 110.927 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 50.5 m -73.52 150.63 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.224 0.453 . . . . 70.340000000000003 112.224 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.02 -49.0 61.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.78 0.659 . . . . 65.140000000000001 112.78 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 34.2 tt0 -59.69 -40.99 89.69 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.975 0.361 . . . . 75.439999999999998 111.975 -178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -60.84 -57.05 14.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.649 0.261 . . . . 64.230000000000004 111.279 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.87 -37.31 84.07 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.162 -0.542 . . . . 65.109999999999999 112.949 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.96 73.72 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.92 0.391 . . . . 63.130000000000003 111.133 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.24 -38.16 82.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.442 -0.344 . . . . 65.129999999999995 111.327 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.99 82.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.099 0.476 . . . . 43.310000000000002 111.56 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -91.37 6.49 45.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.45 -0.341 . . . . 73.200000000000003 111.854 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.91 53.19 39.11 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.546 -0.359 . . . . 63.219999999999999 113.12 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.1 mt -123.56 151.52 42.81 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.257 0.465 . . . . 55.350000000000001 112.257 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -82.45 101.5 10.71 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.199 -0.455 . . . . 65.329999999999998 110.351 173.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 p -57.83 -31.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.075 0.398 . . . . 55.130000000000003 112.075 -177.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.91 -47.97 81.25 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.013 0.435 . . . . 62.299999999999997 111.73 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -66.07 -30.26 70.74 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.313 0.577 . . . . 75.439999999999998 110.825 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.62 -48.59 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.904 -0.589 . . . . 74.140000000000001 110.815 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 99.0 mt -55.39 -36.95 66.96 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.207 -0.451 . . . . 73.219999999999999 111.72 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.72 -56.36 16.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.227 0.537 . . . . 74.120000000000005 111.125 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.33 -33.27 74.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.846 -0.615 . . . . 71.140000000000001 111.113 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.69 -52.17 61.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.389 -0.369 . . . . 74.329999999999998 111.738 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -64.9 -30.46 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.795 0.331 . . . . 71.299999999999997 111.337 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.93 67.46 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.836 0.351 . . . . 74.420000000000002 111.772 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD11 HG21 ' A' ' 24' ' ' VAL . 85.4 mt -69.9 -30.28 67.66 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.083 0.468 . . . . 73.439999999999998 111.468 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.79 -36.49 23.52 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.146 -0.479 . . . . 65.25 111.606 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.07 -47.48 20.45 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.184 -0.462 . . . . 73.209999999999994 111.738 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 65.14 -13.06 0.12 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.128 0.788 . . . . 72.530000000000001 113.128 -178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -57.8 146.88 30.0 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.169 0.509 . . . . 72.340000000000003 112.364 -174.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -52.59 121.61 7.43 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.667 -0.697 . . . . 73.219999999999999 111.327 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.23 161.51 30.18 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.7 -0.227 . . . . 72.129999999999995 110.801 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 60.13 26.54 15.94 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 121.547 0.689 . . . . 65.230000000000004 110.981 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -135.71 136.11 40.58 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.199 -0.455 . . . . 73.5 111.39 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 118.617 -0.706 . . . . 73.450000000000003 111.303 177.388 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.961 0.41 . . . . 73.219999999999999 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -110.38 104.65 13.45 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.524 -0.307 . . . . 65.200000000000003 111.231 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -71.91 111.09 6.86 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.797 0.332 . . . . 73.200000000000003 110.87 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -58.95 -38.42 79.0 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.864 0.364 . . . . 64.239999999999995 111.163 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.498 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 87.0 m-85 -95.56 105.14 17.08 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.156 -0.475 . . . . 74.430000000000007 109.749 171.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.559 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -128.59 165.66 20.36 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.082 0.468 . . . . 75.310000000000002 112.175 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -61.33 -24.05 66.17 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.264 -0.426 . . . . 71.310000000000002 111.894 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.46 -44.15 91.99 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.684 0.624 . . . . 74.340000000000003 112.684 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.3 ptm -71.37 151.67 43.88 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.224 0.535 . . . . 70.430000000000007 112.18 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 58.0 p -78.6 158.83 28.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.099 -0.5 . . . . 75.319999999999993 112.17 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 90.5 m-85 -54.09 -46.84 72.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.2 -0.454 . . . . 74.319999999999993 111.616 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.76 82.02 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 72.200000000000003 111.988 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.77 -40.23 94.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.498 -0.319 . . . . 72.400000000000006 111.555 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.76 85.82 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.954 0.407 . . . . 71.400000000000006 111.078 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 86.4 mt -59.17 -41.35 88.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.116 -0.493 . . . . 73.109999999999999 111.397 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -69.43 -27.82 65.6 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.821 0.343 . . . . 74.129999999999995 111.815 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.6 m -72.42 -42.42 65.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.901 0.382 . . . . 52.049999999999997 110.922 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -149.53 112.28 3.44 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 116.252 -0.431 . . . . 74.230000000000004 111.319 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.19 -30.39 25.56 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.666 2.244 . . . . 64.239999999999995 113.167 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -26.99 66.73 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.532 -0.366 . . . . 22.100000000000001 113.217 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.449 HG13 HD22 ' A' ' 61' ' ' LEU . 69.3 t -55.72 -36.05 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.813 0.339 . . . . 70.349999999999994 111.259 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -54.87 -48.8 72.49 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.483 -0.326 . . . . 64.530000000000001 111.395 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.06 98.34 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 121.242 -0.504 . . . . 75.519999999999996 112.968 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.86 -52.44 60.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.959 0.409 . . . . 73.519999999999996 111.127 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD12 HD21 ' A' ' 15' ' ' LEU . 89.0 mt -58.02 -50.07 74.68 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.356 -0.384 . . . . 61.210000000000001 111.488 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 19.9 mtp180 -60.78 -37.2 81.09 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.901 0.381 . . . . 73.040000000000006 111.225 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -62.8 -37.75 87.96 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.9 0.381 . . . . 74.439999999999998 111.01 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -88.96 30.1 0.97 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.309 0.485 . . . . 54.299999999999997 112.309 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 66.04 16.15 10.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.223 0.453 . . . . 75.420000000000002 112.223 173.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 33' ' ' ILE . 88.2 mt -100.47 18.16 19.76 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.808 -0.558 . . . . 75.400000000000006 111.932 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.27 72.16 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 121.258 -0.496 . . . . 72.409999999999997 113.92 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.14 -9.96 58.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.906 0.706 . . . . 74.129999999999995 112.906 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 30' ' ' LEU . 32.7 pt -51.27 -31.52 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.666 0.617 . . . . 73.329999999999998 112.666 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.47 67.6 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 121.233 -0.508 . . . . 71.209999999999994 113.09 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.13 -48.47 8.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.555 -0.38 . . . . 61.229999999999997 111.787 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 ptm -75.8 13.97 0.74 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 112.921 0.712 . . . . 63.130000000000003 112.921 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.53 5.67 64.21 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 121.219 -0.515 . . . . 54.420000000000002 114.053 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.47 -4.45 11.39 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 117.157 0.479 . . . . 72.219999999999999 112.265 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.43 -36.96 62.1 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.988 0.423 . . . . 73.140000000000001 111.065 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -92.65 13.94 18.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.973 -0.558 . . . . 62.009999999999998 111.647 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -115.1 151.01 35.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.825 0.345 . . . . 73.239999999999995 111.429 -176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.57 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 71.2 m -72.49 152.33 41.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.079 0.466 . . . . 60.109999999999999 112.052 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 6' ' ' THR . 85.8 mt -52.57 -48.23 66.34 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.464 0.913 . . . . 64.109999999999999 113.464 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.5 tt0 -68.17 -40.4 82.31 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.127 0.417 . . . . 75.519999999999996 112.127 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -55.31 -50.43 69.6 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.057 0.456 . . . . 73.200000000000003 110.81 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.46 91.39 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.195 -0.526 . . . . 72.420000000000002 112.814 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 122.579 -0.365 . . . . 63.049999999999997 111.079 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -58.34 -36.84 74.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.765 0.317 . . . . 74.120000000000005 111.522 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.06 70.6 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.978 0.418 . . . . 62.43 111.689 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -106.28 8.82 32.04 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.003 0.372 . . . . 62.399999999999999 112.003 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.11 40.36 99.1 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 121.63 -0.319 . . . . 72.040000000000006 113.818 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.8 163.44 15.85 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.2 0.524 . . . . 72.040000000000006 111.729 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -94.05 113.42 25.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.957 -0.565 . . . . 44.43 110.428 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.7 p -57.53 -33.9 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 116.491 -0.322 . . . . 52.409999999999997 111.839 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.4 -31.82 72.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.246 0.461 . . . . 64.420000000000002 112.246 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 17.0 t70 -70.88 -35.45 72.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.262 0.553 . . . . 74.209999999999994 109.895 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 55.8 mt -69.84 -49.93 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.989 -0.55 . . . . 72.239999999999995 110.95 175.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 85.8 mt -54.67 -33.34 60.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.323 -0.399 . . . . 63.340000000000003 111.275 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 17.9 ttp-105 -50.98 -53.82 29.78 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.995 -0.548 . . . . 73.040000000000006 110.734 175.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -39.3 66.78 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.819 -0.628 . . . . 70.349999999999994 111.156 -177.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.472 HD12 HD23 ' A' ' 58' ' ' LEU . 76.7 mt -57.49 -51.09 70.87 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.417 -0.356 . . . . 72.200000000000003 111.824 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.13 -28.42 65.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.997 0.427 . . . . 74.409999999999997 110.683 176.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 -16.64 63.97 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.511 -0.313 . . . . 73.230000000000004 111.83 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.48 -29.51 67.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.203 0.525 . . . . 74.209999999999994 110.722 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.09 -33.61 14.7 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.05 -0.523 . . . . 54.43 111.903 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.65 -45.13 8.22 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.118 0.485 . . . . 64.0 111.564 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' C ' ' H ' ' A' ' 69' ' ' HIS . 34.8 mt-10 59.43 -95.33 0.05 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.433 -0.803 . . . . 75.019999999999996 112.515 -174.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 64.94 -37.42 0.22 Allowed 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.11 0.781 . . . . 74.040000000000006 113.11 -173.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 67' ' ' GLU . 32.2 m80 -61.98 93.19 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.054 0.454 . . . . 65.400000000000006 111.765 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -70.89 88.18 0.74 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.494 0.664 . . . . 74.340000000000003 112.031 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -146.67 178.02 8.63 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.661 -0.7 . . . . 75.040000000000006 110.609 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -126.7 134.05 50.78 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.829 0.347 . . . . 74.209999999999994 111.214 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 29.1 p80 . . . . . 0 C--O 1.251 1.182 0 N-CA-C 112.593 0.59 . . . . 72.200000000000003 112.593 -179.218 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 120.851 0.358 . . . . 72.200000000000003 111.404 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 t -116.47 110.2 18.31 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.323 0.582 . . . . 74.120000000000005 111.299 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 96.6 mt-30 -89.77 164.89 14.47 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.087 0.47 . . . . 70.209999999999994 111.594 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -83.27 -47.04 11.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.24 -0.437 . . . . 71.329999999999998 111.007 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.465 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.5 m-85 -98.69 122.61 42.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.269 -0.423 . . . . 75.439999999999998 111.262 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.0 t -112.21 170.65 8.02 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.266 0.555 . . . . 63.420000000000002 111.976 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.7 ptpt -83.37 -11.67 57.37 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 111.829 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.54 -25.66 19.13 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.039 0.385 . . . . 74.140000000000001 112.039 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.2 ptm -69.97 150.3 46.84 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.873 0.368 . . . . 71.319999999999993 111.455 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.6 p -77.88 159.22 29.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.884 0.373 . . . . 71.519999999999996 111.908 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -55.9 -40.26 72.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.301 -0.408 . . . . 72.150000000000006 110.979 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.68 -47.97 72.99 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.101 -0.499 . . . . 62.009999999999998 111.743 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.443 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 78.1 mt-30 -57.78 -54.1 50.66 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.986 0.422 . . . . 65.530000000000001 111.153 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.24 71.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.108 -0.496 . . . . 71.439999999999998 112.024 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 25' ' ' LEU . 95.2 mt -59.54 -30.98 68.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.25 0.463 . . . . 72.25 112.25 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -87.74 -20.27 26.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 111.929 0.344 . . . . 72.439999999999998 111.929 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.5 m -72.13 -59.21 2.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.142 0.496 . . . . 73.540000000000006 110.831 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -130.23 123.77 20.87 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 122.235 -0.29 . . . . 62.219999999999999 110.78 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.7 -30.6 56.96 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.95 2.433 . . . . 61.219999999999999 113.282 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.4 -24.1 67.24 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 121.597 -0.335 . . . . 42.32 113.818 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.21 -36.15 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.834 0.317 . . . . 73.239999999999995 111.655 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -57.92 -46.81 84.44 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.871 0.367 . . . . 42.439999999999998 111.216 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.04 96.79 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.163 -0.542 . . . . 64.150000000000006 112.468 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.41 -52.96 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-O 121.06 0.457 . . . . 72.530000000000001 111.407 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 15' ' ' LEU . 86.0 mt -56.65 -45.0 81.89 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.797 0.295 . . . . 72.310000000000002 111.797 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 42.5 mtp180 -63.15 -31.05 72.09 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.799 0.333 . . . . 64.209999999999994 111.267 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -69.61 -42.59 74.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.869 0.366 . . . . 63.409999999999997 111.486 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -82.8 0.7 42.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.148 0.425 . . . . 74.409999999999997 112.148 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.1 t30 69.96 61.67 0.25 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.669 0.747 . . . . 54.340000000000003 111.57 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 33' ' ' ILE . 81.5 mt -132.02 5.98 4.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.278 -0.874 . . . . 72.239999999999995 110.964 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.33 -17.63 62.03 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.224 -0.512 . . . . 53.140000000000001 113.299 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 36' ' ' MET . 58.1 m -66.14 -9.94 36.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.33 0.492 . . . . 72.340000000000003 112.33 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 30' ' ' LEU . 16.7 pt -51.69 -45.08 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.798 0.666 . . . . 63.329999999999998 112.798 -178.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -46.95 93.35 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.623 -0.798 . . . . 62.109999999999999 112.708 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.12 -42.79 99.58 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.074 0.398 . . . . 72.129999999999995 112.074 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.8 ptm -87.09 1.37 53.17 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.249 0.462 . . . . 73.120000000000005 112.249 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.51 28.89 72.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 121.284 -0.484 . . . . 22.140000000000001 113.578 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.17 15.49 5.14 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.547 0.573 . . . . 71.230000000000004 112.547 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -59.04 -35.62 73.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.228 0.537 . . . . 73.209999999999994 111.522 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -79.87 -5.56 55.74 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.823 -0.626 . . . . 73.420000000000002 111.997 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -91.56 148.9 21.95 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.36 -0.382 . . . . 62.039999999999999 111.072 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.3 p -78.06 155.14 30.78 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.038 0.447 . . . . 73.319999999999993 112.056 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 6' ' ' THR . 86.6 mt -53.06 -44.11 67.2 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.285 0.476 . . . . 65.140000000000001 112.285 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 36.4 tt0 -69.11 -49.51 56.47 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.174 0.435 . . . . 75.420000000000002 112.174 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.7 -39.29 90.97 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.911 0.386 . . . . 75.299999999999997 110.77 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.0 -42.98 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.974 -0.632 . . . . 32.100000000000001 112.954 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.65 -58.29 8.11 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.62 -0.341 . . . . 63.229999999999997 111.084 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -61.32 -34.55 75.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.526 -0.306 . . . . 62.210000000000001 111.786 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.94 64.02 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.809 0.338 . . . . 52.32 111.639 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -105.41 -7.44 18.77 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.714 0.293 . . . . 70.129999999999995 111.69 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.76 37.28 6.14 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 121.432 -0.413 . . . . 44.450000000000003 113.84 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 HD21 ' A' ' 30' ' ' LEU . 82.6 mt -123.73 151.22 43.46 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.416 -0.461 . . . . 74.109999999999999 111.532 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.403 HD21 ' HB2' ' A' ' 55' ' ' GLU . 32.1 t30 -88.9 118.73 28.82 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.917 0.389 . . . . 74.319999999999993 110.966 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 13.8 p -61.42 -32.85 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.333 0.494 . . . . 70.450000000000003 112.333 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 53' ' ' ASN . 6.9 mm-40 -54.9 -47.62 74.09 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.096 0.474 . . . . 72.150000000000006 111.462 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.814 -0.63 . . . . 65.540000000000006 111.23 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.57 -47.32 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.962 -0.563 . . . . 71.430000000000007 111.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.404 HD23 HD12 ' A' ' 61' ' ' LEU . 91.7 mt -55.52 -34.15 64.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.777 0.322 . . . . 62.109999999999999 111.828 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -56.78 -49.97 73.71 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.39 -0.368 . . . . 72.420000000000002 111.318 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.96 -34.04 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.986 0.422 . . . . 64.230000000000004 111.207 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 58' ' ' LEU . 82.8 mt -63.05 -52.09 64.19 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.09 0.404 . . . . 75.340000000000003 112.09 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 3' ' ' GLN . 53.0 m-80 -67.25 -25.64 66.17 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 111.756 0.28 . . . . 72.200000000000003 111.756 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.85 -30.17 67.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.872 0.368 . . . . 52.219999999999999 111.094 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.71 -16.64 64.24 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.119 -0.491 . . . . 73.420000000000002 111.701 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -99.63 -31.35 11.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.911 0.386 . . . . 62.149999999999999 111.46 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.59 -52.76 41.77 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.343 -0.389 . . . . 72.129999999999995 111.474 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 54.9 24.26 5.67 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.436 0.902 . . . . 65.25 113.436 176.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -79.7 49.02 0.99 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.682 0.623 . . . . 72.519999999999996 112.682 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.6 m80 63.18 128.23 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.705 1.002 . . . . 70.209999999999994 113.705 174.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -64.5 145.82 55.53 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 115.535 -0.757 . . . . 75.129999999999995 111.954 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -112.82 171.35 7.58 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.499 -0.319 . . . . 73.299999999999997 110.863 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -154.04 164.86 37.77 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.984 0.421 . . . . 72.310000000000002 111.939 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.6 p80 . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.754 -0.641 . . . . 72.340000000000003 111.307 173.544 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.053 0.454 . . . . 70.209999999999994 111.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -135.98 155.42 50.28 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.292 -0.413 . . . . 71.109999999999999 111.083 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -115.4 142.42 46.73 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.643 -0.253 . . . . 72.129999999999995 111.076 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -73.28 -28.09 61.92 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.001 0.429 . . . . 70.420000000000002 110.634 172.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.647 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 70.8 m-85 -110.53 106.24 15.46 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.113 -0.494 . . . . 72.310000000000002 110.21 175.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.6 t -123.1 161.5 24.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.214 -0.448 . . . . 71.5 111.94 -177.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -62.75 -24.85 67.9 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.988 0.366 . . . . 44.310000000000002 111.988 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -81.21 -24.88 37.15 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.823 0.675 . . . . 71.0 112.823 -173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.647 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.9 ptm -78.12 152.33 32.88 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.037 -0.414 . . . . 75.540000000000006 111.524 -176.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.2 p -74.96 156.26 36.5 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.163 0.506 . . . . 52.340000000000003 112.302 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -56.15 -41.11 74.89 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 111.27 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.81 81.1 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.157 -0.474 . . . . 53.310000000000002 111.585 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.81 -43.26 98.4 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.901 0.381 . . . . 72.150000000000006 111.333 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.502 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.27 -49.27 76.6 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.369 -0.378 . . . . 73.140000000000001 111.524 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.921 0.341 . . . . 72.349999999999994 111.921 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -72.7 -35.23 67.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.143 0.497 . . . . 72.430000000000007 111.516 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.4 m -68.52 -42.21 78.83 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.319 -0.4 . . . . 70.219999999999999 111.868 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -154.2 122.56 3.02 Favored Pre-proline 0 N--CA 1.473 0.69 0 CA-C-O 120.702 0.287 . . . . 74.420000000000002 111.754 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.78 -33.59 88.46 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.8 2.333 . . . . 64.439999999999998 112.906 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.63 -21.23 34.7 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.427 -0.416 . . . . 71.030000000000001 113.513 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.502 HG11 ' HB1' ' A' ' 14' ' ' ALA . 89.8 t -60.85 -35.05 61.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 120.703 0.287 . . . . 62.210000000000001 111.096 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.59 79.62 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.499 -0.318 . . . . 71.519999999999996 111.343 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.8 -42.03 99.7 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.148 -0.548 . . . . 44.310000000000002 112.733 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.27 -53.13 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.937 0.399 . . . . 51.5 111.078 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.08 -50.84 71.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 111.584 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -56.95 -44.92 83.06 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 111.752 0.279 . . . . 64.319999999999993 111.752 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -59.28 -34.28 72.08 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.113 0.483 . . . . 72.519999999999996 111.323 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.485 ' O ' HD11 ' A' ' 52' ' ' LEU . 7.2 m-85 -90.57 12.41 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.626 0.602 . . . . 72.340000000000003 112.626 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 69.95 22.49 5.81 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 121.61 0.719 . . . . 60.200000000000003 111.502 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 33' ' ' ILE . 80.9 mt -101.21 -2.33 31.55 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.962 -0.462 . . . . 74.219999999999999 111.955 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.14 58.87 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.891 -0.671 . . . . 73.200000000000003 113.195 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.05 -1.31 14.24 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.651 0.611 . . . . 64.430000000000007 112.651 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 30' ' ' LEU . 14.2 pt -49.82 -38.45 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.167 0.432 . . . . 70.120000000000005 112.167 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.88 -47.41 83.21 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.019 -0.61 . . . . 72.019999999999996 112.523 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.64 -35.23 79.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.182 0.438 . . . . 71.140000000000001 112.182 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 ptm -88.8 -6.38 57.42 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.196 -0.315 . . . . 72.409999999999997 111.501 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.94 23.5 69.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.281 0.473 . . . . 55.149999999999999 114.281 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 24.07 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.451 0.537 . . . . 52.520000000000003 112.451 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.14 -43.73 98.18 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.258 0.466 . . . . 72.329999999999998 112.258 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -90.23 13.87 14.12 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.924 0.342 . . . . 52.229999999999997 111.924 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.82 145.94 29.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.881 0.372 . . . . 73.200000000000003 111.136 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 151.3 47.07 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.148 0.499 . . . . 55.539999999999999 112.233 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 6' ' ' THR . 90.0 mt -52.43 -45.55 66.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.063 0.764 . . . . 72.150000000000006 113.063 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.728 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.2 tt0 -63.5 -44.14 95.2 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.094 0.405 . . . . 71.310000000000002 112.094 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.23 -51.71 68.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.692 0.282 . . . . 74.439999999999998 111.229 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.82 93.83 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 121.154 -0.546 . . . . 71.099999999999994 112.88 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.88 52.47 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.726 0.298 . . . . 72.540000000000006 111.131 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -63.29 -33.84 76.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.577 0.227 . . . . 74.040000000000006 111.458 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.31 -28.51 68.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.008 0.432 . . . . 52.039999999999999 111.322 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -103.62 -1.35 28.33 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.454 -0.339 . . . . 75.5 111.835 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.79 57.38 4.15 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.654 -0.308 . . . . 70.239999999999995 113.801 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 28' ' ' TYR . 59.5 mt -131.72 165.65 23.26 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.571 -0.37 . . . . 62.539999999999999 111.683 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -94.46 112.13 23.9 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.732 -0.469 . . . . 72.239999999999995 109.732 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.1 p -59.02 -35.26 56.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 N-CA-C 111.904 0.335 . . . . 74.230000000000004 111.904 -178.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.41 -45.23 95.18 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.905 0.383 . . . . 74.040000000000006 111.579 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 15.7 t70 -62.48 -35.84 80.62 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.934 0.397 . . . . 61.310000000000002 110.8 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.0 mt -67.23 -51.12 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.068 -0.514 . . . . 73.310000000000002 110.857 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 89.2 mt -55.91 -32.97 64.24 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.052 -0.522 . . . . 73.310000000000002 111.274 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 7.0 ttp85 -51.44 -54.53 25.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.218 -0.446 . . . . 71.450000000000003 111.392 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -70.73 -43.08 69.65 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.27 -0.423 . . . . 75.510000000000005 110.917 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG22 ' A' ' 21' ' ' VAL . 81.0 mt -56.46 -51.33 68.85 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.174 0.435 . . . . 72.319999999999993 112.174 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -69.56 -26.76 64.64 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.997 0.427 . . . . 73.400000000000006 110.987 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.36 69.5 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.562 -0.29 . . . . 44.210000000000001 111.139 175.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.9 -28.54 69.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.994 0.426 . . . . 70.109999999999999 111.172 174.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.63 8.33 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.181 -0.463 . . . . 61.310000000000002 111.599 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.17 -34.15 70.68 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.106 -0.497 . . . . 71.140000000000001 112.004 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 53.19 36.19 21.86 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.82 1.045 . . . . 64.230000000000004 113.82 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -80.64 87.4 5.79 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.968 -0.457 . . . . 65.230000000000004 110.619 174.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -119.95 112.74 19.56 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.309 -0.405 . . . . 71.109999999999999 111.147 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -138.66 32.44 2.25 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.544 0.572 . . . . 63.0 112.544 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -138.38 129.31 26.87 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.126 -0.488 . . . . 73.510000000000005 110.821 171.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -73.81 98.76 3.03 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.385 -0.371 . . . . 52.409999999999997 111.089 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 . . . . . 0 C--O 1.256 1.429 0 CA-C-O 118.983 -0.532 . . . . 74.040000000000006 111.496 -178.786 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 tpp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.797 0.332 . . . . 64.219999999999999 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -123.63 121.0 34.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.084 0.468 . . . . 74.239999999999995 111.917 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -73.37 140.35 46.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.233 -0.44 . . . . 55.539999999999999 110.987 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.561 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 8.2 mmpt? -60.68 -31.19 70.44 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.788 0.292 . . . . 75.400000000000006 111.788 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.584 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.3 m-85 -131.85 124.36 29.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.17 0.51 . . . . 65.019999999999996 111.505 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 9' ' ' MET . 6.3 t -139.95 165.3 27.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.179 -0.464 . . . . 61.109999999999999 111.516 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -64.96 -24.69 67.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.367 -0.379 . . . . 70.239999999999995 111.848 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.64 -43.37 89.7 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.135 -0.484 . . . . 74.219999999999999 112.026 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.8 ptm -74.4 154.04 38.98 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.17 0.51 . . . . 64.5 111.645 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 37.3 p -82.83 162.63 21.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.092 0.472 . . . . 74.519999999999996 112.161 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HE2' HD13 ' A' ' 30' ' ' LEU . 86.9 m-85 -55.14 -43.34 74.08 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.147 -0.479 . . . . 71.099999999999994 111.514 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.82 79.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.869 0.366 . . . . 54.43 111.512 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 78.1 mt-30 -57.99 -46.77 84.69 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.311 -0.404 . . . . 72.200000000000003 111.119 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.75 -49.61 76.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.826 0.346 . . . . 51.439999999999998 111.394 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.78 -35.58 78.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.168 -0.469 . . . . 65.409999999999997 111.841 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -76.22 -25.09 54.75 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.94 0.348 . . . . 75.409999999999997 111.94 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -73.05 -52.94 12.44 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.572 0.225 . . . . 61.530000000000001 110.94 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.6 m-70 -145.85 134.11 10.74 Favored Pre-proline 0 N--CA 1.474 0.738 0 CA-C-O 120.681 0.277 . . . . 74.319999999999993 111.286 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 38.3 Cg_exo -60.82 -34.22 91.74 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.959 2.44 . . . . 75.129999999999995 113.641 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.86 -22.77 35.34 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 114.096 0.399 . . . . 72.030000000000001 114.096 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 89.9 t -54.71 -37.4 39.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.865 0.364 . . . . 65.530000000000001 111.717 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.44 76.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.975 0.416 . . . . 52.439999999999998 111.617 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.78 94.47 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.274 -0.489 . . . . 62.399999999999999 112.413 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.49 -46.66 96.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 120.973 0.416 . . . . 73.0 111.313 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 33' ' ' ILE . 91.5 mt -57.47 -53.08 62.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.308 -0.405 . . . . 75.109999999999999 110.945 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -57.37 -39.06 75.23 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.948 0.404 . . . . 72.430000000000007 111.359 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t -61.25 -30.52 70.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.594 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' O ' HD11 ' A' ' 52' ' ' LEU . 49.9 m-85 -107.52 36.13 2.83 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.734 0.642 . . . . 74.519999999999996 112.734 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 66.0 9.44 6.17 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 112.512 0.56 . . . . 62.32 112.512 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.3 mt -94.41 23.74 5.0 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.74 -0.6 . . . . 54.409999999999997 111.451 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.36 -5.16 87.59 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.783 -0.722 . . . . 73.25 112.96 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 44.4 t -100.66 15.03 29.53 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.937 0.398 . . . . 74.439999999999998 111.625 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -56.58 -35.55 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.336 0.495 . . . . 71.439999999999998 112.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.88 -33.83 85.25 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.054 -0.594 . . . . 74.400000000000006 113.18 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 52.2 t -77.54 -33.34 54.22 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.546 -0.385 . . . . 54.310000000000002 111.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.7 ptm -91.2 6.1 46.44 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.26 0.467 . . . . 72.120000000000005 112.26 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.63 26.86 71.23 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.177 -0.535 . . . . 60.149999999999999 113.531 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.11 2.11 13.82 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.902 0.704 . . . . 61.509999999999998 112.902 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.47 -45.48 80.88 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.927 -0.483 . . . . 61.200000000000003 111.313 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -91.97 18.17 8.27 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 111.277 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -113.83 144.0 43.73 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.249 -0.432 . . . . 74.519999999999996 111.147 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 68.4 m -69.73 149.82 47.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.872 0.368 . . . . 74.030000000000001 111.753 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 6' ' ' THR . 94.2 mt -52.91 -43.71 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.921 0.711 . . . . 73.019999999999996 112.921 -176.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.712 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.3 tt0 -63.88 -48.89 74.88 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.799 0.333 . . . . 75.409999999999997 111.666 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -57.21 -40.07 76.71 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.772 0.32 . . . . 63.140000000000001 111.729 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.36 64.44 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.176 -0.535 . . . . 71.150000000000006 112.69 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.36 -55.12 37.4 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.924 0.393 . . . . 64.420000000000002 111.769 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -62.32 -31.6 72.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.722 0.296 . . . . 64.510000000000005 111.778 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.42 68.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.125 0.488 . . . . 43.020000000000003 111.23 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -105.91 16.29 25.35 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.185 -0.461 . . . . 64.109999999999999 111.364 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.38 39.72 96.58 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 116.457 -0.338 . . . . 33.340000000000003 113.806 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 28' ' ' TYR . 60.0 mt -106.62 168.44 9.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.419 0.628 . . . . 72.439999999999998 112.443 -176.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -102.1 102.29 12.75 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.489 -0.778 . . . . 61.140000000000001 110.406 174.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.0 p -56.32 -34.17 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 112.554 0.576 . . . . 63.43 112.554 -176.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -59.99 -37.96 81.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.813 0.34 . . . . 72.340000000000003 111.835 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 9.7 t70 -74.05 -41.34 61.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.886 0.374 . . . . 74.129999999999995 110.454 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.5 mt -55.73 -48.63 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 116.286 -0.416 . . . . 53.409999999999997 111.055 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 71.9 mt -58.94 -37.98 77.97 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.881 0.372 . . . . 74.439999999999998 111.074 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 13.2 ttp180 -55.89 -51.56 67.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.204 -0.453 . . . . 75.450000000000003 111.25 176.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.78 -32.85 68.07 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.186 -0.461 . . . . 40.299999999999997 111.364 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.3 -52.38 47.92 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.52 0.563 . . . . 53.420000000000002 112.52 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -65.67 -25.02 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.906 -0.496 . . . . 63.100000000000001 111.29 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.13 65.29 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.381 -0.372 . . . . 64.329999999999998 111.508 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.56 -30.77 71.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.878 0.37 . . . . 70.219999999999999 111.585 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.68 -47.59 9.02 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.951 0.405 . . . . 73.409999999999997 111.441 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.92 -40.11 69.01 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.076 0.399 . . . . 54.200000000000003 112.076 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 59.52 -80.88 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.063 0.545 . . . . 70.319999999999993 111.94 -174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.0 p80 40.4 111.89 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.481 1.112 . . . . 75.209999999999994 113.868 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -26.96 117.23 0.08 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.757 1.021 . . . . 63.420000000000002 113.757 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -81.25 37.21 0.44 Allowed 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.887 -0.597 . . . . 71.510000000000005 112.064 -170.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -88.29 95.33 10.14 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.977 -0.452 . . . . 63.450000000000003 111.292 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -112.78 107.69 16.41 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.469 -0.332 . . . . 74.439999999999998 110.756 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.518 -0.753 . . . . 61.200000000000003 111.701 178.907 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 mtm . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.814 0.34 . . . . 72.239999999999995 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 t -146.0 177.44 8.95 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.903 0.382 . . . . 73.120000000000005 111.212 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -136.18 127.74 28.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.64 -0.254 . . . . 64.019999999999996 110.693 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -66.47 -38.14 86.67 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.165 0.507 . . . . 75.349999999999994 110.155 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.778 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 94.0 m-85 -93.96 102.24 14.32 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.696 -0.684 . . . . 72.150000000000006 109.523 170.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.0 t -112.8 173.81 6.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.267 0.556 . . . . 72.209999999999994 112.217 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -71.53 -27.13 62.98 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.155 -0.475 . . . . 64.109999999999999 111.368 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.04 -33.54 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.652 -0.704 . . . . 71.230000000000004 112.396 -175.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.778 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.5 ptm -71.46 152.71 42.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.118 0.485 . . . . 73.349999999999994 111.652 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 69.6 p -86.36 162.07 18.38 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.326 0.491 . . . . 74.230000000000004 112.326 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -57.43 -40.59 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.169 -0.469 . . . . 72.439999999999998 111.241 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.76 77.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.818 0.342 . . . . 45.240000000000002 111.265 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.96 -47.18 83.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.377 -0.374 . . . . 72.209999999999994 111.299 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -58.9 -52.37 66.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.776 0.322 . . . . 53.130000000000003 111.786 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.05 -39.97 75.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.087 0.403 . . . . 71.040000000000006 112.087 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -76.62 -33.7 58.36 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.576 0.584 . . . . 62.329999999999998 112.576 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -58.28 -51.25 70.58 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.816 0.341 . . . . 73.120000000000005 111.425 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.2 m-70 -141.39 135.05 14.67 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.554 -0.294 . . . . 61.210000000000001 111.623 178.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 31.4 Cg_exo -58.61 -45.73 28.07 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.905 2.403 . . . . 61.039999999999999 113.287 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.18 -14.75 27.0 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 114.475 0.55 . . . . 75.519999999999996 114.475 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 14' ' ' ALA . 83.9 t -56.26 -36.1 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 117.156 0.478 . . . . 50.240000000000002 111.785 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.89 74.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.002 0.429 . . . . 73.420000000000002 111.349 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.03 -37.5 92.84 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 121.295 -0.479 . . . . 60.350000000000001 113.099 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 64' ' ' LEU . 82.7 t -63.94 -55.2 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 120.927 0.394 . . . . 65.120000000000005 111.234 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.79 -48.03 70.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.901 0.382 . . . . 74.049999999999997 111.399 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -60.39 -37.91 82.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.903 0.382 . . . . 54.329999999999998 111.459 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -61.04 -33.8 73.86 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.911 0.386 . . . . 71.230000000000004 111.736 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -97.06 5.87 49.58 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.748 0.647 . . . . 72.430000000000007 112.748 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 75.08 54.54 0.07 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.742 0.782 . . . . 75.400000000000006 111.171 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' ILE . 85.5 mt -130.3 14.46 5.6 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.713 -0.676 . . . . 73.400000000000006 110.839 172.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -16.24 76.56 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.001 -0.619 . . . . 55.039999999999999 112.858 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' MET . 64.0 m -72.6 -5.45 37.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.332 0.493 . . . . 74.450000000000003 112.332 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 30' ' ' LEU . 25.6 pt -54.71 -26.02 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 112.696 0.628 . . . . 72.329999999999998 112.696 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.8 -48.14 10.67 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.647 -0.787 . . . . 73.439999999999998 112.301 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.72 -42.83 81.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.097 0.406 . . . . 52.140000000000001 112.097 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 20.7 ptm -84.35 -5.42 59.27 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.01 0.374 . . . . 70.239999999999995 112.01 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 50.6 41.73 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.182 -0.532 . . . . 52.299999999999997 113.714 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.19 21.97 14.04 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.423 -0.457 . . . . 62.420000000000002 111.873 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -62.93 -47.1 84.68 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.052 0.39 . . . . 64.099999999999994 112.052 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -83.76 6.23 21.95 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.324 -0.398 . . . . 72.200000000000003 111.559 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -96.09 147.44 23.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.74 0.305 . . . . 72.140000000000001 111.231 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 53.1 m -71.37 149.67 45.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.839 0.352 . . . . 73.450000000000003 111.677 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.18 -43.91 64.39 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.115 -0.493 . . . . 70.439999999999998 112.267 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.7 tt0 -59.88 -46.6 88.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.029 0.443 . . . . 75.319999999999993 111.834 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -62.49 -41.27 98.7 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.231 -0.441 . . . . 63.399999999999999 111.333 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.26 -39.21 82.27 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.158 -0.544 . . . . 61.009999999999998 112.901 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -55.76 30.24 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.045 0.45 . . . . 53.200000000000003 111.223 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -60.23 -29.63 68.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.305 -0.407 . . . . 74.040000000000006 111.751 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.9 74.73 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.824 0.345 . . . . 63.210000000000001 111.865 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -104.56 11.26 34.49 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 111.706 0.261 . . . . 62.219999999999999 111.706 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.61 50.54 48.14 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.428 -0.415 . . . . 14.300000000000001 113.282 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.2 mt -124.46 143.64 50.53 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.847 0.356 . . . . 74.219999999999999 111.764 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -74.84 114.98 13.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.71 0.291 . . . . 74.439999999999998 110.441 173.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 p -56.43 -35.3 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.135 0.42 . . . . 62.409999999999997 112.135 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.59 -50.05 75.22 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.908 0.385 . . . . 64.129999999999995 111.84 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.35 -37.29 86.99 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.93 0.395 . . . . 75.349999999999994 111.281 -176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD13 HD11 ' A' ' 30' ' ' LEU . 60.6 mt -65.76 -53.05 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.964 0.411 . . . . 61.039999999999999 111.158 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 86.2 mt -55.39 -34.48 64.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.407 -0.36 . . . . 71.120000000000005 111.61 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -52.99 -55.59 22.39 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.286 -0.415 . . . . 73.109999999999999 111.633 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.81 -32.92 71.62 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.86 0.362 . . . . 63.350000000000001 111.362 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.43 -51.49 67.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.817 0.342 . . . . 71.129999999999995 111.713 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 45.8 m-80 -66.49 -27.99 68.22 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 122.079 -0.388 . . . . 73.519999999999996 111.298 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -25.37 67.67 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.715 0.293 . . . . 52.439999999999998 111.351 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 24' ' ' VAL . 92.9 mt -68.01 -31.71 71.59 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.152 0.501 . . . . 63.229999999999997 110.979 173.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.42 35.67 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.042 -0.526 . . . . 53.450000000000003 111.666 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.4 mt -79.4 -30.73 42.54 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.438 -0.346 . . . . 74.019999999999996 111.486 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 63.35 11.86 5.8 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.757 0.651 . . . . 74.200000000000003 112.757 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -98.67 115.62 29.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.085 0.469 . . . . 74.340000000000003 112.088 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -141.12 -40.24 0.4 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.081 -0.509 . . . . 63.329999999999998 110.939 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -112.49 -44.38 3.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.341 -0.391 . . . . 71.430000000000007 111.797 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -76.64 104.05 6.94 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.95 0.405 . . . . 53.219999999999999 110.551 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -95.4 145.23 25.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.444 0.64 . . . . 73.140000000000001 112.58 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.6 t60 . . . . . 0 C--O 1.252 1.233 0 CA-C-N 115.594 -0.73 . . . . 74.340000000000003 110.522 172.698 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.809 0.338 . . . . 75.150000000000006 111.272 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -129.3 176.59 7.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.681 -0.236 . . . . 54.140000000000001 110.848 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -133.49 158.79 42.23 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.246 0.546 . . . . 50.409999999999997 111.829 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -98.88 -9.37 24.32 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.172 -0.467 . . . . 64.430000000000007 111.437 175.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.62 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.9 m-85 -134.35 115.74 14.41 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.875 0.369 . . . . 73.310000000000002 111.503 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.516 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -122.28 167.25 13.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.122 -0.49 . . . . 62.25 111.605 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.705 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -69.78 -25.04 63.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.909 0.385 . . . . 64.329999999999998 111.601 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -80.06 -31.88 39.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.91 -0.587 . . . . 74.219999999999999 112.341 -173.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 26.0 ptm -69.85 158.8 34.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.137 0.494 . . . . 71.310000000000002 112.084 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 22.2 p -84.22 156.65 21.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 112.131 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -55.0 -43.58 73.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.385 -0.37 . . . . 70.400000000000006 111.814 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -55.68 -51.22 67.99 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.775 0.321 . . . . 74.329999999999998 111.545 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 75.8 mt-30 -56.06 -46.2 79.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.319 -0.401 . . . . 53.439999999999998 111.349 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.97 -48.26 82.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.337 -0.392 . . . . 72.230000000000004 111.422 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 25' ' ' LEU . 96.3 mt -59.72 -34.07 72.44 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.175 -0.466 . . . . 75.25 112.015 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 23.5 mm-40 -76.46 -37.57 56.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.835 0.35 . . . . 65.109999999999999 111.236 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -58.5 -51.52 69.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.23 -0.441 . . . . 71.019999999999996 111.717 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -145.89 142.59 18.03 Favored Pre-proline 0 N--CA 1.472 0.636 0 CA-C-O 120.773 0.32 . . . . 55.240000000000002 111.201 175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.66 -23.57 14.46 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.707 2.272 . . . . 62.409999999999997 113.249 -175.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -24.74 64.84 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.139 -0.553 . . . . 55.5 113.021 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 59.3 t -55.29 -39.94 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 120.749 0.309 . . . . 72.530000000000001 111.3 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.61 76.16 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.828 0.347 . . . . 71.230000000000004 111.395 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.87 -38.34 93.91 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.235 -0.507 . . . . 74.120000000000005 112.769 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.96 -51.17 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 122.57 -0.371 . . . . 70.150000000000006 111.407 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD12 HD21 ' A' ' 15' ' ' LEU . 83.0 mt -56.8 -46.05 81.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.823 0.344 . . . . 71.439999999999998 111.394 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -61.41 -34.96 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.003 0.43 . . . . 65.030000000000001 111.234 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -69.54 -34.05 73.67 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.153 0.501 . . . . 72.200000000000003 111.477 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -95.92 31.88 2.01 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 111.855 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.84 -8.94 0.6 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.958 0.725 . . . . 72.530000000000001 112.958 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 33' ' ' ILE . 89.4 mt -78.54 3.63 15.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.839 -0.538 . . . . 74.420000000000002 111.964 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.19 -11.86 34.88 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 121.27 -0.491 . . . . 65.239999999999995 113.779 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.0 m -90.06 8.93 30.14 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.491 0.552 . . . . 51.329999999999998 112.491 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 30' ' ' LEU . 18.0 pt -56.29 -33.73 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 112.196 0.443 . . . . 65.400000000000006 112.196 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.16 -48.62 73.17 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.911 -0.661 . . . . 61.329999999999998 112.882 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.32 -42.32 91.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.941 0.348 . . . . 61.340000000000003 111.941 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -83.51 -6.51 59.47 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.814 0.34 . . . . 71.040000000000006 111.717 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.54 25.82 75.12 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 121.606 -0.33 . . . . 74.340000000000003 113.813 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.74 54.17 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.267 0.556 . . . . 72.140000000000001 111.672 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -84.35 -42.93 15.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.263 -0.426 . . . . 72.129999999999995 111.124 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.64 -7.14 58.58 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.159 -0.473 . . . . 44.340000000000003 111.302 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.42 142.64 40.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.431 -0.35 . . . . 73.019999999999996 110.694 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 32.7 m -73.57 150.64 41.32 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.866 0.321 . . . . 63.049999999999997 111.866 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 6' ' ' THR . 82.9 mt -51.82 -43.74 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.359 0.503 . . . . 72.109999999999999 112.359 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.705 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.0 tt0 -62.4 -48.53 79.34 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.802 0.334 . . . . 74.129999999999995 111.515 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -55.04 -53.0 61.42 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.268 -0.424 . . . . 70.019999999999996 111.286 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.0 -38.28 96.35 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 121.204 -0.522 . . . . 42.520000000000003 113.263 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.47 -56.14 25.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.973 0.416 . . . . 74.530000000000001 111.326 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -63.04 -29.68 71.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.386 -0.37 . . . . 72.439999999999998 111.624 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.04 76.84 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.879 0.371 . . . . 61.109999999999999 111.599 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -98.01 6.88 47.14 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.298 0.481 . . . . 75.430000000000007 112.298 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 31.76 33.94 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.03 -0.605 . . . . 73.109999999999999 114.384 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.4 mt -127.6 166.23 18.43 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.479 -0.424 . . . . 74.329999999999998 110.928 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -101.57 132.67 47.09 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 73.239999999999995 110.453 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.555 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 12.4 p -61.87 -32.04 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.912 0.708 . . . . 75.540000000000006 112.912 -173.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.7 -46.33 88.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.597 0.591 . . . . 73.540000000000006 112.597 -174.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -56.77 -42.02 78.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.232 0.539 . . . . 73.310000000000002 110.907 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.12 -49.57 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.08 -0.509 . . . . 75.040000000000006 110.907 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' HG ' HG22 ' A' ' 54' ' ' VAL . 92.7 mt -56.38 -38.44 71.47 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.506 -0.315 . . . . 63.109999999999999 111.406 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.04 -48.01 71.0 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.846 0.355 . . . . 74.140000000000001 111.076 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.33 -38.02 68.74 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.776 0.322 . . . . 61.109999999999999 111.059 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.27 -51.84 66.09 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.972 0.415 . . . . 63.340000000000003 111.884 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -67.43 -26.22 66.31 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.796 0.332 . . . . 64.140000000000001 111.038 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.17 66.37 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.623 0.249 . . . . 72.310000000000002 111.205 174.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.04 -23.2 64.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.841 0.353 . . . . 63.219999999999999 111.364 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.97 -33.11 16.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.13 0.49 . . . . 41.450000000000003 110.91 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.33 -52.88 19.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.163 -0.471 . . . . 75.430000000000007 111.342 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 62.61 -6.17 0.17 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.802 1.038 . . . . 75.200000000000003 113.802 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -71.12 -43.25 68.01 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 122.017 -0.427 . . . . 72.129999999999995 111.443 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -83.62 99.89 10.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.292 0.568 . . . . 63.399999999999999 110.644 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -88.26 40.48 0.96 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.838 -0.619 . . . . 75.129999999999995 112.238 -170.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.2 m80 62.55 20.6 12.08 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.195 0.443 . . . . 72.519999999999996 112.195 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -68.64 -24.73 64.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.076 0.399 . . . . 62.340000000000003 112.076 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.255 1.368 0 C-N-CA 122.737 0.415 . . . . 60.020000000000003 111.338 -174.63 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.693 0.282 . . . . 73.530000000000001 111.334 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -93.33 151.73 19.59 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.783 0.325 . . . . 44.219999999999999 111.213 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -88.42 134.17 33.91 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.883 0.373 . . . . 72.129999999999995 111.889 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.53 -42.6 99.63 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.246 0.546 . . . . 54.020000000000003 110.287 171.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 84.8 m-85 -100.3 105.08 16.59 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.809 -0.632 . . . . 63.130000000000003 110.593 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.8 t -116.16 165.96 12.56 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.048 -0.524 . . . . 72.209999999999994 111.572 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.0 ptpt -74.16 -14.5 60.97 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.15 0.426 . . . . 74.239999999999995 112.15 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -83.42 -37.23 23.51 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.275 0.472 . . . . 62.140000000000001 112.275 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.2 ptm -63.34 152.19 38.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 120.883 0.373 . . . . 74.219999999999999 111.414 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.472 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 45.5 p -81.16 157.39 25.31 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.976 0.417 . . . . 61.130000000000003 111.913 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 33' ' ' ILE . 97.9 m-85 -53.53 -43.43 68.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.035 -0.53 . . . . 75.319999999999993 111.579 178.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -49.62 73.78 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.383 -0.371 . . . . 63.130000000000003 111.714 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 71.8 mt-30 -56.02 -49.74 72.84 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.88 0.371 . . . . 74.340000000000003 110.997 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.79 -49.05 74.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.315 -0.402 . . . . 75.409999999999997 111.581 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 HD12 ' A' ' 25' ' ' LEU . 96.7 mt -57.59 -36.16 71.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.099 0.407 . . . . 75.319999999999993 112.099 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.41 -19.33 42.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.955 0.407 . . . . 75.439999999999998 111.747 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -79.64 -41.1 27.67 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.781 0.324 . . . . 51.210000000000001 111.56 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -149.25 129.12 6.54 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 122.389 0.276 . . . . 53.109999999999999 111.327 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.28 -36.9 97.24 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.88 2.387 . . . . 63.539999999999999 113.319 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -19.98 54.74 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.354 -0.45 . . . . 75.030000000000001 113.708 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.44 -34.91 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.828 0.347 . . . . 74.010000000000005 111.369 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.75 -46.9 83.85 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.882 0.373 . . . . 51.530000000000001 111.206 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.11 98.74 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.094 -0.574 . . . . 72.519999999999996 112.836 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.96 -54.27 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.310000000000002 111.323 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 HD21 ' A' ' 15' ' ' LEU . 91.0 mt -58.77 -42.11 88.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.36 . . . . 72.409999999999997 111.578 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -60.69 -44.66 96.27 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.847 0.356 . . . . 65.409999999999997 111.226 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -57.65 -42.58 83.74 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.031 0.444 . . . . 62.439999999999998 111.313 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.03 20.57 2.23 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.382 0.512 . . . . 71.400000000000006 112.382 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 70.01 -3.47 1.75 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 112.566 0.58 . . . . 75.450000000000003 112.566 175.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 33' ' ' ILE . 83.2 mt -77.65 -3.13 39.42 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.919 -0.488 . . . . 73.109999999999999 112.087 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.03 -17.82 17.52 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 121.357 -0.449 . . . . 62.140000000000001 113.577 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.8 m -68.69 -10.86 58.84 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 122.424 -0.457 . . . . 71.129999999999995 111.903 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 30' ' ' LEU . 31.6 pt -54.88 -37.19 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.677 0.275 . . . . 54.240000000000002 111.351 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.94 52.87 4.76 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.78 -0.528 . . . . 41.340000000000003 111.78 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.2 t -172.0 -43.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.88 0.472 . . . . 71.530000000000001 110.552 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.5 ptm -88.39 -0.38 57.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.113 0.412 . . . . 74.349999999999994 112.113 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 41.15 54.22 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 121.06 -0.591 . . . . 63.32 113.293 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.2 17.61 23.68 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 122.472 -0.428 . . . . 42.530000000000001 111.988 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -60.13 -37.99 81.71 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.524 0.565 . . . . 72.530000000000001 112.524 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -95.58 19.81 10.53 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.842 0.353 . . . . 74.25 111.921 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -105.6 146.06 30.16 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.713 0.292 . . . . 71.219999999999999 110.981 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 m -63.33 150.06 44.26 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.855 0.317 . . . . 74.430000000000007 111.855 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 6' ' ' THR . 81.8 mt -53.74 -49.26 68.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.165 0.432 . . . . 73.140000000000001 112.165 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 28.4 tt0 -65.24 -37.78 88.31 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.044 0.387 . . . . 61.109999999999999 112.044 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -60.46 -48.2 82.78 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.647 0.261 . . . . 70.150000000000006 111.123 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.83 -39.29 95.03 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 120.977 -0.63 . . . . 55.229999999999997 113.017 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -54.26 49.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.495 -0.415 . . . . 52.240000000000002 111.384 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.71 -33.47 66.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.428 -0.351 . . . . 71.209999999999994 111.906 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.44 78.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.025 0.44 . . . . 74.319999999999993 111.294 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -89.94 -9.4 48.96 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.825 0.345 . . . . 72.120000000000005 111.492 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.87 16.56 67.51 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 121.561 -0.352 . . . . 42.119999999999997 113.41 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.53 156.75 17.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.81 0.338 . . . . 63.409999999999997 111.651 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -86.14 115.37 23.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.998 0.428 . . . . 72.049999999999997 111.584 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.7 p -66.07 -29.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.082 0.468 . . . . 61.310000000000002 111.88 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.02 -34.55 78.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.916 0.388 . . . . 71.420000000000002 111.538 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 33.0 t70 -71.47 -34.19 69.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.065 0.46 . . . . 73.319999999999993 110.391 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 54' ' ' VAL . 54.1 mt -64.72 -42.44 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-O 121.052 0.454 . . . . 74.230000000000004 110.608 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 61' ' ' LEU . 90.7 mt -56.37 -35.19 67.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.203 -0.453 . . . . 63.020000000000003 111.149 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 51.4 ttp85 -51.75 -54.89 23.56 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.237 -0.438 . . . . 75.239999999999995 111.117 173.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 13.6 t0 -66.16 -46.3 77.92 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 120.933 0.397 . . . . 53.100000000000001 110.867 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 58' ' ' LEU . 89.5 mt -53.98 -49.58 68.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.712 0.634 . . . . 62.329999999999998 112.712 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.71 -29.69 62.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.814 0.34 . . . . 74.420000000000002 111.063 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.66 -28.3 69.83 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.679 0.276 . . . . 62.229999999999997 111.394 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 91.9 mt -55.48 -37.87 68.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.81 0.338 . . . . 63.240000000000002 111.784 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.95 -41.46 10.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.385 -0.37 . . . . 72.329999999999998 111.681 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.85 -53.34 18.57 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.158 0.429 . . . . 53.43 112.158 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 55.08 28.72 11.27 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.565 0.58 . . . . 74.549999999999997 112.565 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -77.97 140.74 39.23 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.85 0.357 . . . . 72.200000000000003 110.971 175.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -72.86 113.35 9.8 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.551 -0.295 . . . . 74.040000000000006 110.733 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -64.6 86.17 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.054 0.454 . . . . 72.209999999999994 110.566 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -67.0 121.36 15.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.921 -0.581 . . . . 54.509999999999998 112.163 -174.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -90.83 148.29 22.61 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.026 0.441 . . . . 63.340000000000003 111.497 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.477 -0.773 . . . . 64.409999999999997 110.852 177.275 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 120.714 0.293 . . . . 73.109999999999999 111.368 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 t -129.06 145.59 51.23 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.973 0.415 . . . . 64.519999999999996 111.685 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -70.88 148.78 47.43 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.079 -0.509 . . . . 71.219999999999999 110.847 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -74.91 -42.22 58.19 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.134 0.492 . . . . 55.119999999999997 110.122 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.757 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 -85.58 99.34 11.2 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.0 -0.546 . . . . 63.140000000000001 109.748 173.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.526 ' O ' ' HG2' ' A' ' 9' ' ' MET . 10.2 t -118.74 171.24 8.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.179 0.514 . . . . 54.32 111.933 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.63 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.9 ptpt -69.84 -17.12 63.37 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.16 -0.473 . . . . 75.329999999999998 112.157 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.42 -35.18 27.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.346 0.499 . . . . 74.219999999999999 112.346 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.757 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -70.28 154.93 41.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.052 0.453 . . . . 74.049999999999997 111.674 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 32.4 p -83.8 160.65 21.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.119 -0.491 . . . . 52.549999999999997 111.948 -177.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 85.2 m-85 -57.17 -38.76 74.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.297 -0.41 . . . . 71.019999999999996 111.052 174.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.04 71.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.648 0.261 . . . . 34.340000000000003 111.359 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 76.4 mt-30 -56.05 -47.72 77.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.9 0.381 . . . . 63.119999999999997 111.081 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -56.71 -50.12 73.12 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.212 -0.449 . . . . 63.5 111.668 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 88.3 mt -59.46 -42.36 91.82 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.896 0.379 . . . . 75.329999999999998 111.645 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.95 -28.86 67.01 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.71 0.291 . . . . 63.310000000000002 111.738 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -74.61 -40.44 61.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.899 0.38 . . . . 75.129999999999995 111.583 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -151.51 117.07 3.16 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 111.799 0.296 . . . . 72.010000000000005 111.799 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.2 -26.52 42.83 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.691 2.26 . . . . 72.040000000000006 112.967 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -26.34 67.35 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 121.416 -0.421 . . . . 65.409999999999997 113.317 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.8 t -55.12 -38.32 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.69 -0.3 . . . . 74.129999999999995 111.204 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.84 -47.71 73.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.909 0.385 . . . . 51.130000000000003 111.153 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.94 99.68 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 121.184 -0.531 . . . . 52.210000000000001 112.918 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.23 -47.9 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.769 0.319 . . . . 74.349999999999994 111.17 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 92.5 mt -59.04 -43.45 91.65 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.863 0.363 . . . . 75.010000000000005 111.096 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.68 -36.2 80.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.894 0.378 . . . . 71.329999999999998 111.043 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -66.66 -38.79 87.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.254 0.549 . . . . 65.219999999999999 110.888 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 39.2 m-85 -95.62 25.02 4.79 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.867 -0.606 . . . . 74.209999999999994 112.079 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 21.0 t-20 71.34 -15.92 0.39 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.253 0.834 . . . . 74.409999999999997 113.253 174.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.7 mt -72.06 2.5 5.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.745 0.646 . . . . 62.119999999999997 112.745 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.35 -10.38 21.96 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.055 -0.593 . . . . 42.119999999999997 113.643 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 36' ' ' MET . 62.2 m -89.09 12.83 14.57 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.404 -0.468 . . . . 51.340000000000003 112.219 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.9 pt -53.81 -30.11 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.526 . . . . 64.519999999999996 112.419 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.38 88.5 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.808 -0.711 . . . . 75.439999999999998 112.452 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -70.61 -38.01 73.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.042 0.386 . . . . 71.239999999999995 112.042 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 27.7 ptm -84.84 -3.95 58.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 111.786 0.291 . . . . 70.409999999999997 111.786 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.29 52.3 50.46 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.333 -0.461 . . . . 60.549999999999997 113.566 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.13 21.61 17.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.829 0.678 . . . . 75.510000000000005 112.829 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.34 -45.18 95.5 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.911 -0.493 . . . . 72.519999999999996 111.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -84.28 -5.79 59.31 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.089 0.471 . . . . 63.43 111.402 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -87.21 145.94 26.19 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.22 -0.445 . . . . 71.230000000000004 110.956 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.622 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 80.3 p -75.38 150.85 38.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.027 0.441 . . . . 65.239999999999995 111.887 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.25 -39.79 31.74 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.882 -0.599 . . . . 52.299999999999997 112.061 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.63 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -65.1 -48.78 72.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.241 0.46 . . . . 74.409999999999997 112.241 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.537 ' HG3' ' OG ' ' A' ' 42' ' ' SER . 72.9 mt-30 -58.1 -50.19 74.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.779 0.323 . . . . 74.299999999999997 111.144 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.33 97.31 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.089 -0.577 . . . . 73.209999999999994 112.951 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -57.98 10.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.887 0.375 . . . . 71.349999999999994 111.46 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -61.59 -34.94 76.48 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.735 0.272 . . . . 64.409999999999997 111.735 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.11 -34.59 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.944 0.402 . . . . 71.400000000000006 111.497 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -97.2 8.14 45.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 111.776 0.287 . . . . 72.420000000000002 111.776 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.84 42.67 60.46 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.54 -0.3 . . . . 71.409999999999997 113.83 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.2 mt -120.01 159.56 24.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.007 0.432 . . . . 62.420000000000002 111.832 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -89.63 112.6 23.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.297 -0.41 . . . . 64.109999999999999 110.7 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.5 p -59.2 -36.88 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 112.159 0.429 . . . . 71.439999999999998 112.159 -177.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.22 -38.63 89.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.828 0.346 . . . . 74.310000000000002 111.846 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 14.8 t70 -65.17 -35.04 79.83 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.146 0.498 . . . . 71.209999999999994 110.715 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -71.03 -51.56 34.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.8 -0.637 . . . . 74.439999999999998 111.078 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 83.9 mt -52.71 -36.01 56.68 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.199 0.524 . . . . 74.209999999999994 110.972 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 16.7 ttp180 -51.24 -53.09 38.6 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.496 -0.774 . . . . 72.230000000000004 111.723 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.95 -38.3 69.82 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.042 0.449 . . . . 74.439999999999998 110.865 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.03 -51.27 70.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.105 -0.498 . . . . 74.329999999999998 111.989 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 59.0 m-80 -69.55 -30.83 68.72 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.835 0.35 . . . . 75.239999999999995 111.101 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 68' ' ' HIS . . . -58.07 -31.97 67.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.677 -0.238 . . . . 44.509999999999998 111.472 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.52 -34.86 69.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.172 0.51 . . . . 73.239999999999995 111.329 175.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.63 -35.55 24.53 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.16 -0.473 . . . . 55.140000000000001 111.882 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.9 mt -75.05 -28.59 60.45 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.289 -0.414 . . . . 74.040000000000006 111.973 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 54.63 80.79 0.12 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.207 0.527 . . . . 64.439999999999998 111.405 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.438 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 20.5 p80 -82.61 106.25 14.31 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.386 0.513 . . . . 72.239999999999995 112.386 -173.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -96.4 -24.51 16.1 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.829 0.347 . . . . 65.420000000000002 111.03 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -104.99 -177.13 3.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.78 0.324 . . . . 71.5 110.499 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -135.75 161.54 35.28 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.043 0.449 . . . . 72.120000000000005 111.654 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -98.55 99.69 10.86 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.283 -0.417 . . . . 71.400000000000006 110.38 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.915 -0.564 . . . . 62.020000000000003 112.23 -178.312 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 112.29 0.478 . . . . 74.420000000000002 112.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -63.38 156.02 27.15 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.941 0.4 . . . . 53.210000000000001 111.987 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -81.33 175.64 10.41 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.223 0.535 . . . . 65.519999999999996 112.333 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -89.85 -27.32 20.01 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.213 0.53 . . . . 64.019999999999996 110.337 172.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -126.85 117.45 22.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.685 -0.688 . . . . 73.430000000000007 110.228 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.3 t -122.08 159.76 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.943 0.402 . . . . 65.329999999999998 111.937 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.6 ptpt -60.05 -26.81 66.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.027 0.442 . . . . 64.329999999999998 111.389 177.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.8 -43.76 97.96 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.48 -0.782 . . . . 53.130000000000003 112.561 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.5 ptm -73.47 154.2 40.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.286 0.565 . . . . 62.299999999999997 111.962 -176.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 63.9 p -83.47 163.97 20.16 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.019 -0.537 . . . . 53.210000000000001 112.233 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -55.46 -41.86 73.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.082 -0.508 . . . . 74.209999999999994 111.183 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -57.68 -51.23 70.4 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.388 -0.369 . . . . 64.5 111.642 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 76.1 mt-30 -59.19 -43.77 92.21 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.883 0.373 . . . . 71.549999999999997 111.436 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.8 -50.62 72.65 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.926 0.393 . . . . 50.43 111.252 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.46 -37.31 77.85 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.083 -0.508 . . . . 74.010000000000005 111.911 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.4 mm-40 -77.2 -24.45 51.35 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.09 0.404 . . . . 75.230000000000004 112.09 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.2 m -78.23 -36.77 46.69 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.097 0.475 . . . . 72.329999999999998 110.685 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -152.61 109.12 2.74 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-N 116.174 -0.467 . . . . 75.299999999999997 110.964 175.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.5 -26.28 28.08 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.488 2.125 . . . . 75.510000000000005 112.96 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.86 -25.08 61.09 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.479 -0.391 . . . . 70.019999999999996 113.12 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.88 -31.77 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.789 0.328 . . . . 72.120000000000005 111.192 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.73 -50.76 69.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.767 0.318 . . . . 54.329999999999998 111.385 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.79 -35.32 91.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.085 -0.578 . . . . 62.210000000000001 112.868 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.82 -52.57 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.831 0.348 . . . . 73.439999999999998 111.114 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -55.59 -43.29 75.87 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.982 0.42 . . . . 61.439999999999998 110.89 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -59.44 -42.04 91.02 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.342 -0.39 . . . . 74.329999999999998 111.082 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.38 -36.05 77.16 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.266 -0.425 . . . . 70.420000000000002 111.354 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 73.0 m-85 -99.16 26.12 6.19 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.202 0.445 . . . . 75.420000000000002 112.202 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.48 12.72 6.6 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.616 0.599 . . . . 75.209999999999994 112.616 171.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.5 mt -88.0 2.71 51.1 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.762 -0.587 . . . . 73.340000000000003 111.852 177.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.39 -25.6 49.34 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 121.288 -0.482 . . . . 72.409999999999997 113.861 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.1 m -73.86 0.81 12.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.832 0.679 . . . . 74.040000000000006 112.832 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.02 -31.14 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 120.803 0.335 . . . . 73.150000000000006 111.7 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -50.73 56.57 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.965 -0.636 . . . . 72.409999999999997 112.348 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.73 -32.42 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.245 0.461 . . . . 74.310000000000002 112.245 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.8 ptm -94.75 1.09 55.44 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 111.914 0.339 . . . . 72.519999999999996 111.914 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.63 21.71 71.11 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.375 -0.441 . . . . 61.329999999999998 114.084 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 18.0 0.18 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.897 0.703 . . . . 75.049999999999997 112.897 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.9 -32.46 70.76 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.905 0.383 . . . . 72.219999999999999 111.534 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.48 8.39 38.95 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.259 -0.428 . . . . 73.140000000000001 111.832 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 45' ' ' GLN . 32.4 tt0 -104.46 143.24 33.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.957 0.408 . . . . 74.230000000000004 111.237 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 48.0 m -65.97 150.56 48.45 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.318 -0.401 . . . . 72.519999999999996 111.993 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -50.87 -49.01 60.09 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.051 0.76 . . . . 73.420000000000002 113.051 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 35.8 tt0 -61.34 -39.79 91.87 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.915 0.339 . . . . 41.399999999999999 111.915 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 50.1 mt-30 -62.93 -52.99 60.92 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.532 0.206 . . . . 60.329999999999998 111.412 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.12 95.07 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.202 -0.523 . . . . 43.240000000000002 112.771 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.27 78.51 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.03 0.443 . . . . 74.430000000000007 110.725 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -60.99 -36.52 79.67 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.209 -0.45 . . . . 72.120000000000005 111.264 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.99 67.22 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.438 -0.346 . . . . 64.409999999999997 111.562 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -100.4 6.33 44.45 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.94 0.348 . . . . 70.200000000000003 111.94 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.46 41.83 90.02 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.583 -0.341 . . . . 72.400000000000006 113.498 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -122.93 148.21 45.73 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.781 0.324 . . . . 72.0 111.287 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -80.93 115.24 20.31 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.195 0.521 . . . . 74.150000000000006 111.066 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' HG ' ' A' ' 58' ' ' LEU . 13.9 p -57.45 -28.72 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.912 -0.585 . . . . 60.450000000000003 112.237 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.5 -41.69 90.46 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.306 0.484 . . . . 73.230000000000004 112.306 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.31 -32.28 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.102 0.477 . . . . 73.150000000000006 110.682 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.434 HD13 HD11 ' A' ' 30' ' ' LEU . 57.2 mt -68.7 -48.89 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.067 -0.515 . . . . 73.349999999999994 110.591 175.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HG ' HG22 ' A' ' 54' ' ' VAL . 91.1 mt -55.22 -39.78 70.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.356 -0.383 . . . . 71.430000000000007 111.358 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 34.9 ttp85 -52.0 -53.32 43.08 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.125 0.488 . . . . 52.399999999999999 111.107 174.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -32.23 70.68 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.913 -0.585 . . . . 71.299999999999997 110.881 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 89.1 mt -69.07 -52.15 31.47 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.933 0.346 . . . . 53.439999999999998 111.933 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -64.75 -24.6 67.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.662 0.268 . . . . 75.109999999999999 111.398 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.51 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.607 0.241 . . . . 73.329999999999998 111.394 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.4 -17.86 63.03 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.857 0.36 . . . . 74.400000000000006 111.407 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.2 -47.53 5.71 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.873 0.368 . . . . 62.539999999999999 111.504 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.07 -46.26 78.37 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.184 -0.462 . . . . 44.030000000000001 111.399 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 57.77 19.14 5.35 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.891 1.071 . . . . 74.25 113.891 173.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -83.29 -6.37 59.45 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 122.001 -0.437 . . . . 64.409999999999997 110.689 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 69.87 -70.81 0.14 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.459 0.704 . . . . 71.420000000000002 112.484 173.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 p80 60.86 -55.17 0.09 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.385 1.474 . . . . 72.430000000000007 114.07 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -71.94 95.49 1.57 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.555 -0.715 . . . . 74.430000000000007 111.114 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -121.6 74.31 1.11 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.557 0.694 . . . . 71.099999999999994 112.207 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 . . . . . 0 C--O 1.25 1.079 0 CA-C-N 115.419 -0.809 . . . . 64.120000000000005 110.106 173.675 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.493 0.187 . . . . 74.420000000000002 110.736 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 t -119.66 150.03 41.0 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.993 0.425 . . . . 71.530000000000001 112.077 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -91.75 163.16 14.18 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.007 -0.542 . . . . 70.439999999999998 110.831 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -67.6 -33.41 74.93 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.02 0.438 . . . . 74.129999999999995 111.298 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.574 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.4 m-85 -121.46 119.76 32.98 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.727 175.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.2 t -121.03 170.04 9.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.265 0.555 . . . . 64.510000000000005 112.189 -176.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.803 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.9 ptpt -73.32 -17.61 61.28 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.036 -0.529 . . . . 65.109999999999999 111.876 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -81.56 -36.52 28.99 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.593 0.59 . . . . 72.430000000000007 112.593 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.574 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.6 ptm -67.79 152.1 46.13 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.098 0.475 . . . . 71.340000000000003 112.111 -176.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.2 p -86.23 162.05 18.5 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.278 0.473 . . . . 63.450000000000003 112.278 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -57.6 -43.1 84.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.231 -0.441 . . . . 72.310000000000002 111.717 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.9 83.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 111.313 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -58.62 -51.0 71.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.853 0.359 . . . . 73.530000000000001 110.956 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -56.19 -46.99 79.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.404 -0.362 . . . . 73.129999999999995 111.901 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 HD12 ' A' ' 25' ' ' LEU . 93.4 mt -57.53 -34.63 69.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.277 0.473 . . . . 71.5 112.277 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -94.08 -4.72 48.87 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.085 0.402 . . . . 63.030000000000001 112.085 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -79.59 -52.8 7.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.887 0.375 . . . . 73.400000000000006 110.731 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.29 134.94 16.84 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 122.618 0.367 . . . . 74.310000000000002 111.096 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -59.87 -34.87 95.29 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.804 2.336 . . . . 73.109999999999999 113.313 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.15 -19.13 65.76 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.184 -0.531 . . . . 44.409999999999997 113.822 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 14' ' ' ALA . 98.7 t -58.25 -41.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.964 0.357 . . . . 70.450000000000003 111.964 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -51.8 -55.77 17.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.863 0.363 . . . . 74.049999999999997 111.823 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -39.32 94.53 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.352 -0.452 . . . . 73.319999999999993 113.03 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.35 -46.84 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.961 0.41 . . . . 72.239999999999995 111.127 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 HD21 ' A' ' 15' ' ' LEU . 82.7 mt -57.98 -46.64 84.84 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.87 0.367 . . . . 71.230000000000004 110.763 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 59.6 mtp180 -62.11 -32.05 72.57 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.929 0.395 . . . . 72.430000000000007 111.171 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -62.11 -31.17 71.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.904 0.383 . . . . 64.209999999999994 111.3 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.471 ' HB3' HD13 ' A' ' 52' ' ' LEU . 77.2 m-85 -96.32 15.48 21.05 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 111.774 0.287 . . . . 71.409999999999997 111.774 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.1 t30 62.62 35.81 14.05 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.521 0.677 . . . . 73.310000000000002 111.327 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 33' ' ' ILE . 89.8 mt -102.7 11.88 37.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.053 -0.521 . . . . 71.299999999999997 111.555 176.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.47 -23.13 68.31 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.186 -0.53 . . . . 54.240000000000002 113.576 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 36' ' ' MET . 48.8 t -74.79 -0.24 17.62 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.363 0.505 . . . . 55.130000000000003 112.363 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -52.32 -27.12 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.497 0.555 . . . . 72.129999999999995 112.497 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.16 -50.08 29.96 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.057 -0.592 . . . . 74.420000000000002 112.613 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.99 -42.95 79.98 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.991 0.425 . . . . 74.030000000000001 112.055 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.7 ptm -79.3 0.65 27.98 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.922 0.341 . . . . 64.109999999999999 111.922 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.81 28.35 69.98 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 114.068 0.387 . . . . 60.109999999999999 114.068 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.73 17.47 0.7 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.315 0.487 . . . . 75.129999999999995 112.315 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -65.29 -27.89 68.94 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.796 0.332 . . . . 74.400000000000006 111.571 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -91.73 -7.64 49.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.878 0.371 . . . . 72.420000000000002 111.564 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -93.13 148.68 21.81 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.993 0.425 . . . . 75.299999999999997 111.626 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.619 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 86.9 p -76.74 155.01 33.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.924 0.392 . . . . 64.230000000000004 111.8 -177.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.08 -40.81 67.55 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.276 -0.42 . . . . 41.210000000000001 111.827 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.9 tt0 -65.27 -49.54 69.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.934 0.346 . . . . 53.450000000000003 111.934 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -60.69 -45.3 94.69 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.903 0.383 . . . . 73.530000000000001 111.058 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.47 92.95 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.116 -0.564 . . . . 34.210000000000001 112.588 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.86 52.72 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.755 0.312 . . . . 74.140000000000001 111.177 176.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -55.79 -41.66 74.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.486 -0.324 . . . . 75.409999999999997 111.258 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.44 99.1 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.021 0.438 . . . . 61.210000000000001 111.877 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -90.63 7.63 38.33 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.367 0.506 . . . . 55.200000000000003 112.367 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.65 51.02 57.4 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.38 -0.438 . . . . 64.019999999999996 113.634 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 28' ' ' TYR . 83.6 mt -126.97 171.52 11.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.1 0.476 . . . . 72.030000000000001 111.708 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -100.98 110.46 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.071 -0.513 . . . . 72.530000000000001 110.218 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.7 p -57.26 -36.22 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 111.839 0.311 . . . . 73.439999999999998 111.839 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.61 -37.45 87.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.014 0.435 . . . . 65.510000000000005 111.482 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.1 t70 -74.95 -38.59 61.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.109 0.48 . . . . 73.25 110.798 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.24 -50.23 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.975 0.416 . . . . 72.340000000000003 110.503 175.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 88.0 mt -58.24 -34.0 69.97 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.323 -0.399 . . . . 62.43 111.341 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 18.7 ttp180 -54.97 -49.85 70.4 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.06 0.457 . . . . 75.019999999999996 111.001 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.39 -40.29 77.46 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.178 -0.464 . . . . 54.25 111.112 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.76 -51.88 65.39 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.178 -0.465 . . . . 75.219999999999999 112.164 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -67.16 -25.65 66.26 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.096 -0.377 . . . . 55.43 111.336 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.77 -26.31 65.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.712 0.292 . . . . 43.229999999999997 111.232 174.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.07 -26.41 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.094 0.473 . . . . 73.510000000000005 111.508 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.74 -37.36 11.3 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.275 -0.42 . . . . 34.119999999999997 111.766 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.87 -49.6 11.71 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.919 0.39 . . . . 74.340000000000003 111.491 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.12 17.39 2.68 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.07 0.767 . . . . 54.5 113.07 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -58.75 134.73 57.09 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.641 0.258 . . . . 62.219999999999999 110.788 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -66.2 158.04 29.83 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.404 0.621 . . . . 55.229999999999997 112.28 -173.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -81.55 102.14 10.41 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.022 0.749 . . . . 62.32 113.022 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -132.8 128.94 37.86 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.672 -0.695 . . . . 75.430000000000007 110.002 170.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -117.35 171.79 7.74 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.083 0.468 . . . . 71.329999999999998 112.173 -172.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.865 -0.588 . . . . 73.420000000000002 110.866 173.272 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtm . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 120.564 0.221 . . . . 70.209999999999994 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -153.08 148.23 26.76 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.048 0.452 . . . . 64.120000000000005 111.973 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -75.12 155.48 37.02 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.286 -0.415 . . . . 71.439999999999998 110.452 175.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -78.37 -29.15 47.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.225 0.536 . . . . 72.409999999999997 110.367 174.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.745 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 93.7 m-85 -126.63 123.12 36.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.859 -0.609 . . . . 73.129999999999995 110.987 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.582 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -122.6 166.78 14.3 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.135 -0.484 . . . . 52.539999999999999 111.702 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.678 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -63.48 -28.92 70.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.816 0.341 . . . . 64.439999999999998 111.41 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.77 -35.96 72.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.931 -0.577 . . . . 74.420000000000002 112.49 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.745 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -71.71 148.47 46.38 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.244 0.545 . . . . 61.509999999999998 111.498 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.8 p -84.56 162.13 19.93 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.395 0.517 . . . . 64.430000000000007 112.395 -176.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -53.73 -42.29 67.95 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.296 -0.411 . . . . 74.239999999999995 111.422 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -57.29 -48.89 77.76 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.389 -0.369 . . . . 71.239999999999995 111.325 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.26 -45.02 88.59 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.819 0.342 . . . . 73.030000000000001 111.295 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.02 -48.82 77.58 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.386 -0.37 . . . . 75.409999999999997 111.601 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.86 85.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.021 0.439 . . . . 75.329999999999998 111.528 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 28.2 mm-40 -73.39 -21.22 60.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.931 0.396 . . . . 74.540000000000006 111.724 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -80.71 -52.71 7.24 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.805 0.336 . . . . 75.519999999999996 111.365 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -137.3 120.87 11.81 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 122.337 0.255 . . . . 73.239999999999995 111.256 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.92 -34.42 91.78 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.545 2.163 . . . . 75.150000000000006 113.125 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -20.32 50.38 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.508 -0.377 . . . . 70.5 113.963 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG11 ' HB1' ' A' ' 14' ' ' ALA . 85.9 t -60.1 -32.76 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 122.595 -0.356 . . . . 70.129999999999995 111.623 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -51.03 67.7 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.019 0.438 . . . . 61.329999999999998 111.303 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.16 97.58 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 116.185 -0.461 . . . . 73.530000000000001 112.683 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.37 -55.37 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.968 0.413 . . . . 62.299999999999997 111.173 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.29 -50.93 69.99 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.286 -0.416 . . . . 72.420000000000002 111.271 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.66 -32.32 72.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.801 0.296 . . . . 74.299999999999997 111.801 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -62.96 -37.96 89.17 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.218 0.533 . . . . 72.040000000000006 111.184 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HB3' HD13 ' A' ' 52' ' ' LEU . 28.1 m-85 -89.84 11.56 19.85 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 112.041 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 63.86 45.97 4.14 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.636 0.731 . . . . 73.129999999999995 111.009 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -112.38 13.27 20.26 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.879 -0.601 . . . . 72.150000000000006 110.601 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.01 -26.5 68.68 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.251 -0.5 . . . . 73.209999999999994 113.615 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.22 -9.96 13.54 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.507 0.558 . . . . 71.109999999999999 112.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.0 pt -48.13 -37.58 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 111.988 0.366 . . . . 60.25 111.988 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.13 -41.6 86.35 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.967 -0.635 . . . . 64.409999999999997 112.757 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -65.84 -52.06 53.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.761 0.315 . . . . 74.450000000000003 111.763 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -76.1 -10.4 59.39 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 111.899 0.333 . . . . 72.109999999999999 111.899 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.76 58.24 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.137 -0.554 . . . . 73.109999999999999 113.186 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.2 31.71 0.64 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.073 0.463 . . . . 33.299999999999997 111.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 32.5 mm-40 -62.97 -34.51 77.67 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 122.193 -0.317 . . . . 73.209999999999994 111.769 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -89.75 13.45 14.31 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.966 0.412 . . . . 72.129999999999995 111.868 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -91.05 134.12 34.76 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.651 0.262 . . . . 54.399999999999999 110.36 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 83.6 p -73.6 154.47 39.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.048 0.452 . . . . 55.450000000000003 111.425 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt -54.53 -40.39 68.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.027 -0.533 . . . . 61.039999999999999 112.413 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.7 tt0 -66.66 -45.63 78.34 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.81 0.3 . . . . 75.540000000000006 111.81 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -55.48 -51.36 67.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.949 0.404 . . . . 74.510000000000005 111.268 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.77 -37.57 94.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 120.929 -0.653 . . . . 34.450000000000003 113.164 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.57 -60.09 3.92 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.504 -0.409 . . . . 63.049999999999997 111.435 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -59.67 -39.49 84.64 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.944 0.402 . . . . 65.5 111.587 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -30.32 68.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.228 0.455 . . . . 51.450000000000003 112.228 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -102.2 4.76 39.72 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.045 0.387 . . . . 72.099999999999994 112.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.71 32.87 39.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.3 -0.476 . . . . 75.329999999999998 113.765 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 28' ' ' TYR . 37.6 mt -117.98 163.99 15.76 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.666 0.387 . . . . 75.409999999999997 111.629 -176.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -98.75 121.02 40.17 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.141 -0.318 . . . . 61.399999999999999 110.141 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.5 p -53.78 -39.43 39.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 111.964 0.357 . . . . 53.140000000000001 111.964 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.74 -43.88 97.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.934 0.397 . . . . 64.430000000000007 111.457 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 31.7 t70 -62.36 -32.86 73.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.082 0.468 . . . . 65.319999999999993 111.103 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.3 mt -74.57 -51.21 23.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.112 -0.495 . . . . 62.210000000000001 110.938 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.1 mt -54.3 -31.23 53.46 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.988 0.423 . . . . 71.049999999999997 111.153 177.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 4.6 ttp180 -50.77 -56.62 11.21 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.744 -0.662 . . . . 74.519999999999996 111.525 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.419 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 9.7 t70 -72.86 -40.18 65.88 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.302 -0.408 . . . . 71.340000000000003 111.038 -178.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -56.92 -51.62 68.4 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.868 0.322 . . . . 65.239999999999995 111.868 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -68.32 -32.37 72.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.692 0.282 . . . . 61.350000000000001 110.901 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -24.75 66.03 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.628 -0.26 . . . . 70.430000000000007 111.563 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 93.7 mt -69.36 -36.09 76.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.998 0.428 . . . . 73.200000000000003 111.454 175.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.71 -32.27 52.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.065 0.459 . . . . 75.239999999999995 111.762 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.9 mt -89.52 -48.66 7.16 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.05 -0.523 . . . . 73.530000000000001 111.932 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.57 94.8 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.306 0.642 . . . . 73.340000000000003 111.963 -173.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -112.23 125.57 54.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.0 -0.546 . . . . 73.530000000000001 111.061 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -91.31 127.94 36.94 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.902 0.382 . . . . 74.340000000000003 111.053 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -80.73 -29.98 36.3 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.432 0.531 . . . . 64.310000000000002 112.432 -173.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -74.95 129.9 38.45 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.72 0.295 . . . . 65.540000000000006 111.16 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -67.09 98.45 0.58 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.356 0.502 . . . . 71.519999999999996 112.356 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 C--O 1.252 1.209 0 CA-C-O 118.666 -0.683 . . . . 74.519999999999996 110.818 172.674 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 97.7 m-85 . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 121.104 0.478 . . . . 63.21 110.491 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.3 t -121.58 162.17 21.09 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.121 0.486 . . . . 74.03 111.831 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.734 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.5 ptpt -68.56 -20.86 64.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.335 -0.393 . . . . 74.01 111.408 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.68 -31.85 52.73 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.841 -0.618 . . . . 72.21 112.199 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -75.52 159.04 31.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.934 0.397 . . . . 74.21 111.583 -176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 62.0 p -86.09 159.55 19.52 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.373 0.509 . . . . 60.51 112.373 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.17 -43.08 87.29 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.291 -0.413 . . . . 75.24 111.534 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -57.37 -41.21 79.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.917 0.389 . . . . 70.34 111.735 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.93 -42.84 76.24 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.681 -0.236 . . . . 73.0 111.264 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.02 78.68 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.962 0.411 . . . . 72.04 111.592 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 25' ' ' LEU . 97.0 mt -56.75 -41.43 77.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.875 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -79.46 -8.28 59.01 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.122 0.416 . . . . 74.42 112.122 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' ND1' ' A' ' 18' ' ' HIS . 96.3 m -86.46 -41.25 14.56 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.024 0.44 . . . . 72.44 110.974 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.409 ' ND1' HG22 ' A' ' 17' ' ' THR . 57.3 m80 -149.03 115.81 3.74 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 122.518 0.327 . . . . 73.21 110.784 174.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.25 -32.21 59.55 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.485 2.123 . . . . 64.24 113.089 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.31 -21.34 56.75 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 121.382 -0.437 . . . . 71.35 113.558 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.8 t -58.69 -36.08 58.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.683 0.278 . . . . 64.42 111.272 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -56.87 -46.23 81.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.746 0.307 . . . . 74.52 111.269 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.24 -45.36 96.66 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 121.106 -0.568 . . . . 72.2 112.764 177.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 64' ' ' LEU . 61.9 t -59.81 -51.17 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.857 0.36 . . . . 65.42 111.098 177.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.474 HD12 HD21 ' A' ' 15' ' ' LEU . 85.6 mt -58.03 -49.93 75.18 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 111.745 0.276 . . . . 73.14 111.745 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 73.3 mtp180 -60.54 -37.62 81.83 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.804 0.335 . . . . 72.04 111.294 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 t -65.24 -31.1 72.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.154 0.502 . . . . 64.51 110.971 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.31 20.85 6.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.229 -0.441 . . . . 74.51 112.134 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 68.55 5.0 4.58 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.28 0.562 . . . . 64.12 111.931 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' ILE . 96.9 mt -90.56 14.59 12.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.897 -0.502 . . . . 70.13 111.802 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.21 -27.67 73.5 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.872 -0.68 . . . . 73.35 112.834 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 36' ' ' MET . 63.2 m -65.18 -5.96 8.12 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.826 0.676 . . . . 72.02 112.826 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 30' ' ' LEU . 27.8 pt -54.18 -30.98 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 112.632 0.604 . . . . 44.31 112.632 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.98 -37.86 64.4 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.816 -0.707 . . . . 72.44 112.779 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.86 -52.57 9.24 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.817 0.341 . . . . 52.44 111.705 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.0 ptm -69.22 -2.48 10.61 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.345 0.498 . . . . 70.22 112.345 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.34 27.81 69.11 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.184 -0.531 . . . . 43.15 113.567 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.2 9.51 6.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.478 -0.425 . . . . 60.21 111.989 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 29.6 mm-40 -57.82 -41.96 83.29 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.167 0.508 . . . . 63.04 111.071 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -87.65 13.11 11.03 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.999 -0.546 . . . . 74.13 111.572 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -108.87 146.34 33.87 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.541 -0.299 . . . . 62.01 111.336 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 61.4 m -70.16 150.22 46.73 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.867 0.365 . . . . 70.13 111.958 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 6' ' ' THR . 85.3 mt -53.28 -44.77 68.51 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.53 0.567 . . . . 74.01 112.53 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -64.81 -35.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 111.86 0.319 . . . . 73.53 111.86 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.19 -49.73 70.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.862 0.363 . . . . 75.43 111.191 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.55 -34.81 90.13 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.002 -0.618 . . . . 71.41 112.903 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -59.28 5.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.725 0.298 . . . . 72.41 111.601 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -60.05 -34.43 73.4 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.705 0.288 . . . . 63.01 111.529 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.88 70.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.992 0.425 . . . . 75.3 111.657 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -100.87 11.18 40.09 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.957 0.408 . . . . 62.0 111.381 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 36.99 85.98 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.244 0.458 . . . . 61.15 114.244 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -120.48 161.48 21.18 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.994 0.426 . . . . 73.02 111.311 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -98.5 123.75 42.83 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.955 0.407 . . . . 60.51 110.078 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.439 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 p -61.08 -25.83 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 116.32 -0.4 . . . . 72.23 111.927 -176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -56.11 -51.84 66.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.905 0.383 . . . . 73.43 111.729 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.18 -35.17 79.41 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.126 0.489 . . . . 72.35 111.124 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.18 -52.44 52.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.087 -0.506 . . . . 75.1 110.893 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.7 mt -57.54 -36.66 71.9 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.243 -0.435 . . . . 73.43 111.095 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -52.03 -56.73 12.51 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.075 -0.511 . . . . 74.21 111.53 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -36.42 66.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.653 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.92 -48.16 80.14 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.999 0.428 . . . . 73.1 111.652 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.84 -29.45 70.18 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.012 0.434 . . . . 53.15 111.335 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.57 70.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.354 -0.385 . . . . 72.4 111.153 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.406 HD11 HG21 ' A' ' 24' ' ' VAL . 83.8 mt -67.59 -25.63 65.87 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.371 -0.377 . . . . 70.33 111.052 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.465 0 CA-C-O 120.974 0.416 . . . . 64.02 111.421 178.198 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.654 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 92.0 m-85 . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 121.087 0.47 . . . . 64.34 110.253 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.638 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.0 t -123.32 156.04 36.08 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.305 0.574 . . . . 64.12 111.987 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.813 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -54.4 -26.09 28.46 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.516 0.561 . . . . 72.3 112.516 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.21 -15.08 57.8 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.607 0.595 . . . . 73.1 112.607 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.654 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 23.2 ptm -88.66 158.4 18.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.973 -0.454 . . . . 71.24 110.949 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 38.4 p -85.38 158.37 20.26 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.0 0.429 . . . . 71.14 112.068 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -55.23 -44.4 75.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.595 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -54.98 -48.91 72.65 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.2 -0.455 . . . . 63.45 111.675 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.467 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.6 mt-30 -56.4 -48.36 77.07 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.832 0.348 . . . . 64.05 111.46 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -58.23 -44.25 88.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.366 -0.379 . . . . 53.4 111.306 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD21 HD12 ' A' ' 25' ' ' LEU . 97.4 mt -63.02 -28.19 69.93 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.157 -0.474 . . . . 74.04 112.151 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 21.6 mm-40 -82.75 -31.39 28.4 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.956 0.408 . . . . 73.42 111.107 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.1 m -67.28 -58.14 5.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.462 -0.335 . . . . 70.11 111.504 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 6.6 m-70 -138.3 131.68 16.48 Favored Pre-proline 0 N--CA 1.471 0.589 0 O-C-N 122.331 -0.23 . . . . 72.21 111.427 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 37.4 Cg_exo -60.97 -33.13 92.8 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.864 2.376 . . . . 72.33 112.959 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.64 53.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.237 -0.438 . . . . 54.3 113.438 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.539 HG11 ' HB1' ' A' ' 14' ' ' ALA . 84.6 t -56.07 -37.67 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.566 0.222 . . . . 54.0 111.419 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.24 76.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.996 0.426 . . . . 62.13 111.4 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -44.12 91.06 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.218 -0.515 . . . . 61.32 112.735 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 HD11 ' A' ' 64' ' ' LEU . 83.9 t -59.73 -49.19 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.916 0.388 . . . . 65.23 111.417 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 HD13 ' A' ' 33' ' ' ILE . 93.1 mt -55.25 -52.41 63.5 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.291 -0.413 . . . . 72.42 110.899 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -56.73 -39.57 74.16 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.837 0.351 . . . . 64.53 111.284 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.9 t -61.62 -36.58 81.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.199 -0.455 . . . . 72.31 112.012 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -88.24 5.15 43.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.083 0.401 . . . . 70.53 112.083 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 69.74 53.54 0.39 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.827 0.822 . . . . 74.44 110.625 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 33' ' ' ILE . 99.6 mt -126.39 15.32 7.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.472 -0.785 . . . . 70.45 110.9 175.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -20.29 71.72 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.985 -0.626 . . . . 71.13 112.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 35' ' ' CYS . 42.4 t -81.49 8.21 10.06 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.011 0.374 . . . . 74.11 112.011 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 30' ' ' LEU . 10.3 pt -54.46 -31.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 112.575 0.583 . . . . 54.53 112.575 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -39.7 69.25 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.751 -0.738 . . . . 74.24 112.398 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.72 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 67.2 m -68.91 -39.97 79.39 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.781 0.325 . . . . 70.5 111.721 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.6 ptm -86.41 3.79 42.23 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 111.913 0.338 . . . . 73.54 111.913 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.55 29.95 75.1 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 121.388 -0.434 . . . . 32.24 114.082 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.35 11.25 3.73 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.855 0.687 . . . . 44.53 112.855 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.413 HE22 HD12 ' A' ' 33' ' ' ILE . 26.1 mm-40 -65.65 -30.49 71.2 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.273 0.558 . . . . 74.1 110.834 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -98.42 20.8 12.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.963 -0.562 . . . . 65.2 111.081 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -123.72 151.05 43.61 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.562 -0.29 . . . . 72.34 111.047 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 82.5 p -76.6 155.23 33.7 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.085 0.469 . . . . 63.24 111.909 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.78 -42.32 64.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.757 -0.656 . . . . 52.3 112.113 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.9 tt0 -64.68 -48.07 76.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 111.929 0.344 . . . . 73.42 111.929 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.63 -46.47 88.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.744 0.307 . . . . 65.52 111.485 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -45.41 95.97 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.118 -0.563 . . . . 74.3 112.894 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.15 66.88 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.003 0.43 . . . . 64.44 111.159 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HG2' ' A' ' 44' ' ' GLU . 92.2 m-20 -55.78 -33.04 64.0 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.013 -0.54 . . . . 65.44 112.03 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -36.16 77.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.1 0.476 . . . . 75.42 111.391 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -90.83 5.52 48.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.305 -0.407 . . . . 72.12 111.458 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.15 35.21 90.16 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.621 -0.323 . . . . 74.43 113.697 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -102.63 160.88 14.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.997 0.427 . . . . 75.2 111.992 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -84.25 104.61 14.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.182 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.1 p -58.4 -34.51 50.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 111.886 0.328 . . . . 54.51 111.886 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -60.63 -46.54 89.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.163 0.506 . . . . 61.45 110.855 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 t70 -68.62 -33.09 73.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.143 -0.48 . . . . 63.43 111.147 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 53' ' ' ASN . 59.2 mt -64.23 -53.15 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.902 0.382 . . . . 64.25 111.127 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 79.2 mt -55.13 -36.95 66.31 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.114 0.483 . . . . 61.41 110.938 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.542 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 1.5 ttp180 -51.44 -56.02 15.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.605 -0.725 . . . . 74.24 111.421 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -72.1 -32.82 67.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.837 0.351 . . . . 70.33 111.47 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.39 -49.48 76.73 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.874 0.368 . . . . 70.44 111.75 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -71.91 -26.7 62.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.973 0.416 . . . . 73.23 111.166 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.37 -23.92 66.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.792 0.33 . . . . 73.22 111.28 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 24' ' ' VAL . 96.2 mt -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.802 0.334 . . . . 74.24 111.482 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 120.89 0.376 . . . . 64.33 111.52 178.061 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 64.8 m-85 . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.335 -0.617 . . . . 72.02 109.335 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.8 t -95.3 162.17 13.79 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.352 0.596 . . . . 72.52 112.088 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.868 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.2 ptpt -69.59 -18.19 63.61 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.029 -0.532 . . . . 64.32 111.349 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.17 -37.67 66.47 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.892 -0.594 . . . . 74.33 112.078 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.618 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.1 ptm -70.89 149.47 46.72 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.072 0.463 . . . . 75.34 111.489 -176.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 30.8 p -80.61 165.42 22.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.19 -0.459 . . . . 74.34 112.047 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -56.48 -42.78 78.84 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 61.31 111.043 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.19 88.05 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.323 -0.399 . . . . 71.12 111.46 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.523 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 26.2 mt-30 -58.67 -47.15 85.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.005 0.431 . . . . 71.24 110.872 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.03 74.94 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.35 -0.386 . . . . 71.51 111.654 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.45 -38.16 71.26 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.368 -0.378 . . . . 73.41 111.942 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -75.74 -28.6 58.58 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.86 0.319 . . . . 45.35 111.86 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.1 m -67.93 -43.07 79.99 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 111.744 0.276 . . . . 75.35 111.744 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -149.21 143.1 16.59 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-O 120.788 0.328 . . . . 64.12 111.803 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.14 -22.63 22.28 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.751 2.301 . . . . 64.44 113.543 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.61 -15.34 80.61 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.235 -0.507 . . . . 52.21 113.625 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.14 -38.34 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.988 0.366 . . . . 74.44 111.988 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.83 -47.33 64.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.911 0.386 . . . . 44.43 111.76 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.11 -42.17 99.58 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 121.148 -0.548 . . . . 63.03 112.819 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -62.05 -50.93 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 120.886 0.374 . . . . 75.52 111.476 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.0 mt -56.6 -47.01 80.52 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.878 0.37 . . . . 73.13 111.343 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -61.86 -43.28 99.17 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.855 0.36 . . . . 71.12 111.279 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 t -58.8 -33.65 70.59 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.14 0.495 . . . . 73.13 111.642 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' CD2' HG12 ' A' ' 57' ' ' ILE . 31.9 m-85 -96.85 25.29 5.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.156 -0.475 . . . . 63.01 112.024 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 70.47 -17.68 0.27 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.752 0.649 . . . . 65.03 112.752 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' ILE . 83.2 mt -62.7 -10.32 12.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.416 0.524 . . . . 74.41 112.416 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.06 -22.21 12.52 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.439 -0.41 . . . . 63.53 113.817 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 36' ' ' MET . 71.0 m -73.01 3.17 5.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.547 0.573 . . . . 32.13 112.547 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 30' ' ' LEU . 16.0 pt -54.96 -30.32 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.125 0.417 . . . . 74.3 112.125 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.13 -41.5 96.99 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.056 -0.592 . . . . 33.35 112.527 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.6 t -71.57 -55.13 8.39 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.95 0.352 . . . . 72.3 111.95 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.5 ptm -72.08 -12.06 61.04 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.938 0.718 . . . . 54.32 112.938 -174.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.32 48.54 14.18 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.112 -0.566 . . . . 42.21 112.819 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' A' ' 33' ' ' ILE . . . -111.11 64.69 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.429 0.633 . . . . 44.03 110.825 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -99.81 -40.23 7.82 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.345 0.593 . . . . 74.13 110.448 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -90.04 1.68 56.05 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.539 -0.755 . . . . 74.3 111.601 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -91.07 143.57 26.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.792 0.329 . . . . 70.14 111.414 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 35.6 m -71.91 151.21 43.5 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.876 0.369 . . . . 72.13 111.776 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 6' ' ' THR . 99.4 mt -53.27 -46.14 69.15 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.735 0.642 . . . . 74.24 112.735 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.868 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 45.5 tt0 -61.87 -46.71 88.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.12 0.486 . . . . 54.32 111.288 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -57.28 -42.03 80.86 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.91 -0.586 . . . . 53.05 111.226 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.79 88.92 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.067 -0.587 . . . . 53.32 112.931 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.89 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.767 0.317 . . . . 73.22 111.142 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -51.87 -46.28 64.41 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.92 0.391 . . . . 72.3 111.355 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.52 70.87 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.375 0.509 . . . . 72.42 112.375 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -99.24 2.65 45.83 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.003 0.372 . . . . 72.3 112.003 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.35 35.82 92.43 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.333 -0.461 . . . . 72.23 113.271 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.3 mt -105.5 157.77 17.14 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.049 0.452 . . . . 75.21 111.717 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.54 104.47 14.57 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.317 -0.401 . . . . 73.51 110.755 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 8.1 p -54.48 -38.23 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 112.589 0.589 . . . . 72.14 112.589 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.09 -41.38 96.55 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.856 0.36 . . . . 73.11 111.655 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.2 t70 -67.64 -34.69 77.47 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.054 0.455 . . . . 64.42 110.779 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 30' ' ' LEU . 57.6 mt -65.92 -52.94 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.785 -0.643 . . . . 65.33 110.947 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 7' ' ' LYS . 80.2 mt -56.97 -34.13 67.77 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.138 -0.483 . . . . 72.33 111.26 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.8 ttp180 -51.83 -55.63 18.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.006 -0.543 . . . . 71.3 111.69 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.15 -34.28 68.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.006 0.431 . . . . 63.41 110.889 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.8 -49.02 78.02 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 74.22 111.889 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.55 -25.74 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.222 -0.298 . . . . 72.33 111.304 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -29.39 67.47 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.783 0.325 . . . . 71.43 110.955 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.09 -32.79 74.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.039 0.447 . . . . 70.41 111.351 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.264 0.554 . . . . 34.13 111.294 179.019 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.609 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 120.883 0.373 . . . . 74.54 110.713 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.3 t -116.44 165.25 13.43 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.245 -0.434 . . . . 65.1 111.635 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -69.92 -17.75 63.34 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.85 0.357 . . . . 73.15 111.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.32 -26.48 42.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.637 0.606 . . . . 63.05 112.637 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.628 ' HG2' ' O ' ' A' ' 6' ' ' THR . 24.9 ptm -78.25 150.53 33.39 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.961 -0.462 . . . . 53.14 111.148 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.478 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.2 p -82.74 158.6 22.8 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.145 0.424 . . . . 52.42 112.145 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -53.6 -42.7 67.95 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.012 -0.54 . . . . 75.22 111.456 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.21 76.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.323 -0.399 . . . . 63.24 111.326 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.478 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.3 mt-30 -58.47 -47.56 83.65 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.435 -0.348 . . . . 75.31 111.059 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -54.52 -51.09 66.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.265 -0.425 . . . . 74.34 111.601 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.49 -39.65 84.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.51 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.15 0.41 40.99 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.242 0.46 . . . . 75.34 112.242 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.483 HG22 ' ND1' ' A' ' 18' ' ' HIS . 86.7 m -101.13 -40.83 7.0 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.068 0.461 . . . . 34.44 110.977 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' ND1' HG22 ' A' ' 17' ' ' THR . 66.0 m80 -149.3 112.71 3.51 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 122.612 0.365 . . . . 63.12 110.946 176.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.97 -34.51 22.93 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.964 2.443 . . . . 70.44 113.75 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.2 -25.43 47.46 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.402 -0.428 . . . . 72.21 113.739 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 14' ' ' ALA . 87.5 t -55.01 -32.91 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 120.813 0.339 . . . . 62.44 111.664 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.34 -45.84 72.78 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.969 0.414 . . . . 72.35 111.647 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.99 89.58 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.104 -0.569 . . . . 63.21 112.552 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.2 -52.28 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.862 0.363 . . . . 61.1 111.099 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 83.6 mt -56.3 -47.78 77.99 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.95 0.405 . . . . 73.43 111.412 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -57.9 -37.0 73.23 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.881 0.372 . . . . 64.43 111.702 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -62.33 -40.94 98.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.852 0.358 . . . . 62.41 111.526 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.529 ' HB3' HD13 ' A' ' 52' ' ' LEU . 97.8 m-85 -85.9 1.57 49.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.182 0.438 . . . . 74.42 112.182 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 68.81 64.72 0.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.558 0.694 . . . . 70.41 111.045 -174.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.9 mt -128.28 6.4 5.84 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.93 -0.577 . . . . 75.51 111.33 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.93 68.33 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.823 -0.704 . . . . 63.32 112.89 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.31 -2.1 15.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.467 0.543 . . . . 64.34 112.467 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -54.26 -32.74 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 112.056 0.391 . . . . 73.51 112.056 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.33 90.11 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.994 -0.622 . . . . 61.2 112.63 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.5 m -75.78 -48.51 21.41 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.877 0.37 . . . . 65.02 111.42 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.5 -7.68 54.78 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.954 0.407 . . . . 65.44 111.837 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.83 32.24 64.01 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 121.272 -0.49 . . . . 63.55 113.707 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.1 20.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.401 0.519 . . . . 51.51 112.401 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -63.27 -35.22 79.63 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.133 0.42 . . . . 64.31 112.133 -177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -93.75 5.58 51.19 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.75 0.309 . . . . 71.23 111.52 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -98.95 148.16 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.924 0.392 . . . . 63.12 111.802 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 96.6 p -71.56 154.65 41.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.173 -0.467 . . . . 42.42 111.837 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.8 mt -52.69 -46.76 67.41 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.997 0.74 . . . . 71.51 112.997 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.618 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 43.7 tt0 -65.17 -44.83 87.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.135 0.42 . . . . 70.24 112.135 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.54 -52.94 63.53 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.549 0.214 . . . . 62.51 111.147 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.43 94.81 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 121.119 -0.562 . . . . 74.42 113.211 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.21 24.58 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.851 0.358 . . . . 24.45 111.565 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -62.35 -31.31 71.94 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.645 0.26 . . . . 63.1 111.574 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.69 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.021 0.439 . . . . 74.2 111.336 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -101.91 11.18 38.99 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.304 -0.407 . . . . 72.13 111.599 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.92 52.99 40.5 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.335 -0.46 . . . . 53.53 113.209 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 28' ' ' TYR . 75.8 mt -126.4 163.97 22.12 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.182 0.515 . . . . 71.52 111.947 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -101.05 100.2 10.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.957 -0.565 . . . . 72.23 110.525 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 p -57.84 -31.26 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 N-CA-C 112.185 0.439 . . . . 73.53 112.185 -176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -55.88 -46.31 78.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.212 0.529 . . . . 75.13 111.223 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.419 ' CG ' HH21 ' A' ' 59' ' ' ARG . 36.9 t70 -69.79 -39.0 76.85 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.873 -0.603 . . . . 71.23 110.746 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.6 mt -60.0 -46.98 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 116.22 -0.445 . . . . 74.34 111.109 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.2 mt -55.88 -42.83 76.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.497 -0.32 . . . . 74.54 111.102 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.419 HH21 ' CG ' ' A' ' 56' ' ' ASP . 31.1 ttp85 -52.61 -54.97 25.89 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.079 -0.51 . . . . 75.53 111.127 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.74 74.36 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.199 -0.455 . . . . 72.4 111.24 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 83.7 mt -67.31 -51.02 57.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.452 -0.34 . . . . 74.33 111.84 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.503 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 46.6 m-80 -68.22 -27.6 66.51 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.934 0.397 . . . . 72.43 111.102 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -29.29 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.224 -0.444 . . . . 51.23 111.655 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.27 -24.41 67.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.192 -0.458 . . . . 73.34 112.038 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 51.12 111.952 179.13 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.571 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.018 0.437 . . . . 73.23 110.424 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.2 t -123.85 156.28 36.49 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.026 -0.534 . . . . 50.35 111.799 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.1 ptpt -59.16 -21.09 58.84 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.87 0.366 . . . . 72.41 111.864 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.8 -38.17 73.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.874 -0.603 . . . . 64.43 112.598 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.0 ptm -75.1 154.99 37.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 75.24 111.956 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 42.7 p -84.96 162.95 19.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.186 0.439 . . . . 74.55 112.186 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 87.1 m-85 -54.26 -41.45 68.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.103 -0.498 . . . . 73.41 111.262 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -60.26 -48.55 81.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.953 0.406 . . . . 71.3 111.41 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 26.7 mt-30 -56.87 -44.45 82.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.977 0.418 . . . . 75.51 110.982 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.39 70.2 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.167 -0.47 . . . . 53.45 111.602 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 97.5 mt -55.99 -36.74 68.23 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.998 0.428 . . . . 74.12 111.676 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.84 -20.11 58.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.244 0.461 . . . . 73.34 112.244 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.5 m -83.27 -36.72 24.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 111.862 0.319 . . . . 64.11 111.862 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -150.18 125.64 4.91 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 122.386 0.275 . . . . 72.23 111.473 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.26 -31.07 92.79 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.584 2.189 . . . . 70.33 113.064 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -22.72 65.82 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.261 -0.495 . . . . 42.15 113.596 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.7 -37.78 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 111.79 0.293 . . . . 61.35 111.79 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.38 -47.22 72.91 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.927 0.394 . . . . 53.03 111.397 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.49 -43.83 91.51 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.108 -0.568 . . . . 43.34 112.585 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -52.19 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.956 0.408 . . . . 63.42 111.434 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.18 -42.22 85.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.592 -0.276 . . . . 54.34 111.371 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -59.69 -38.17 80.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.049 0.452 . . . . 74.42 111.242 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -65.24 -30.59 71.49 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.163 0.506 . . . . 65.13 111.246 176.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.453 ' CD2' HG12 ' A' ' 57' ' ' ILE . 42.2 m-85 -93.61 13.59 21.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.481 0.548 . . . . 72.14 112.481 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.2 t30 67.64 24.29 8.53 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 121.603 0.716 . . . . 73.34 111.75 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.8 mt -106.78 14.82 26.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.044 -0.525 . . . . 74.32 111.485 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -16.99 67.56 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 114.446 0.538 . . . . 62.32 114.446 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.9 m -72.51 -8.3 54.43 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.889 0.7 . . . . 51.34 112.889 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 30' ' ' LEU . 29.0 pt -51.21 -42.17 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.383 0.882 . . . . 52.43 113.383 -175.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.53 -42.07 89.22 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.716 -0.754 . . . . 64.52 113.411 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -72.0 -39.06 69.5 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.398 0.518 . . . . 65.22 112.398 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.2 ptm -85.79 -8.78 57.9 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.073 0.398 . . . . 71.24 112.073 -177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.8 23.55 61.81 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 121.032 -0.604 . . . . 34.42 113.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.36 16.47 0.61 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.38 0.511 . . . . 62.24 112.38 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.596 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 31.5 mm-40 -59.44 -26.03 64.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.093 0.473 . . . . 75.32 111.592 178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -87.72 -1.25 57.84 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.104 -0.498 . . . . 31.21 112.066 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -95.94 135.6 37.48 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.897 0.38 . . . . 75.23 111.938 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 73.7 m -70.05 151.36 45.61 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.487 -0.324 . . . . 65.52 111.567 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -52.32 -50.39 62.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.615 0.598 . . . . 52.25 112.615 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.779 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.8 tt0 -63.06 -41.41 99.46 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.206 -0.309 . . . . 70.51 111.685 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.44 -54.71 42.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.942 0.401 . . . . 72.13 110.819 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.28 97.26 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.216 -0.516 . . . . 74.41 113.44 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.23 -59.98 4.04 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.867 0.365 . . . . 65.01 111.412 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -63.16 -35.2 79.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.66 0.266 . . . . 73.12 111.474 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.09 -16.62 64.1 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.008 0.373 . . . . 53.33 112.008 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -112.75 10.66 19.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.771 0.319 . . . . 71.21 111.66 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.29 40.37 49.36 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 121.585 -0.34 . . . . 52.4 113.58 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 mt -127.33 151.05 49.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.437 -0.449 . . . . 42.3 111.279 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.63 116.08 27.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 110.075 -0.343 . . . . 64.01 110.075 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.9 p -56.55 -34.71 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.031 0.382 . . . . 54.32 112.031 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -61.59 -38.5 87.78 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.023 0.379 . . . . 73.3 112.023 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.85 -37.44 84.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.256 0.55 . . . . 72.5 110.108 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.453 HG12 ' CD2' ' A' ' 28' ' ' TYR . 39.6 mt -68.77 -46.24 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.778 -0.647 . . . . 74.44 111.144 178.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.9 mt -56.38 -32.89 65.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.768 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -54.95 -56.03 24.16 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.985 0.422 . . . . 71.01 111.26 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.32 -38.52 87.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.152 -0.476 . . . . 53.21 110.92 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.69 -51.5 68.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.853 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -66.29 -29.41 69.62 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.257 -0.277 . . . . 73.44 111.239 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.35 65.82 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.721 0.296 . . . . 53.4 111.593 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.26 -30.6 71.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.051 0.453 . . . . 74.24 111.456 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 112.01 0.374 . . . . 75.32 112.01 -179.553 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.459 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 88.0 m-85 . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 120.863 0.363 . . . . 62.44 110.66 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.564 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.8 t -126.01 163.85 22.14 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.051 0.453 . . . . 65.25 111.965 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -63.46 -19.62 64.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.345 -0.388 . . . . 73.31 111.746 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.35 -44.79 78.16 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.947 -0.57 . . . . 74.43 112.358 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -69.55 153.73 43.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.122 0.487 . . . . 65.51 111.843 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.4 p -91.16 167.34 12.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.268 -0.424 . . . . 71.01 112.049 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -57.87 -42.57 84.81 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.082 -0.508 . . . . 70.13 111.393 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -58.93 -43.79 91.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.886 0.374 . . . . 74.43 111.2 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.55 -42.51 98.36 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.211 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -59.73 -46.08 90.22 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.38 -0.373 . . . . 72.23 111.639 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -30.01 69.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.898 0.38 . . . . 73.35 111.601 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.3 mm-40 -78.44 -31.8 48.23 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.859 0.362 . . . . 75.43 111.33 176.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -65.07 -52.61 54.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.004 0.43 . . . . 75.35 111.077 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.47 122.83 6.21 Favored Pre-proline 0 N--CA 1.472 0.661 0 CA-C-N 116.388 -0.369 . . . . 72.21 111.234 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.08 -29.41 65.37 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.696 2.264 . . . . 75.34 112.969 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -19.43 61.84 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 121.355 -0.45 . . . . 41.44 113.77 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG11 ' HB1' ' A' ' 14' ' ' ALA . 79.3 t -58.1 -35.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.835 0.318 . . . . 65.31 111.614 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.37 63.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.95 0.405 . . . . 61.41 111.334 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -37.81 94.45 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.106 -0.568 . . . . 73.55 113.098 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 64' ' ' LEU . 59.9 t -63.89 -46.66 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.955 0.407 . . . . 72.25 110.962 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 87.6 mt -58.37 -48.64 79.96 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.266 -0.425 . . . . 41.32 110.722 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -57.39 -44.07 84.19 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.169 0.509 . . . . 74.31 110.963 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.08 -36.01 76.44 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.898 -0.592 . . . . 72.02 111.647 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.5 10.32 25.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.513 0.561 . . . . 72.22 112.513 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 t30 67.25 20.52 10.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.716 0.769 . . . . 64.52 111.486 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 33' ' ' ILE . 96.5 mt -90.17 -1.45 57.94 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.078 -0.51 . . . . 62.33 111.63 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.31 -22.6 30.81 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.339 -0.458 . . . . 42.33 113.566 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.8 m -65.26 -2.34 2.96 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.886 0.698 . . . . 74.11 112.886 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 30' ' ' LEU . 22.6 pt -56.91 -22.71 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 112.481 0.548 . . . . 75.14 112.481 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.93 -52.11 40.21 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.159 -0.543 . . . . 63.53 113.314 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.7 t -72.71 -41.1 65.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.022 0.379 . . . . 62.41 112.022 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -75.39 -9.69 58.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.663 0.268 . . . . 74.25 111.588 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 37.53 93.88 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.323 -0.465 . . . . 74.54 113.337 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 12.83 3.51 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.245 0.461 . . . . 71.11 112.245 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.417 HE22 HD12 ' A' ' 33' ' ' ILE . 27.2 mm-40 -57.71 -42.46 83.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.124 0.488 . . . . 71.31 111.175 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -89.58 14.73 10.85 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.857 -0.61 . . . . 63.15 111.823 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.29 139.22 45.7 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.712 0.291 . . . . 72.31 111.199 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 63.0 m -64.84 151.23 46.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.252 0.464 . . . . 74.15 112.252 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 9' ' ' MET . 91.3 mt -52.1 -46.84 65.43 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.411 0.522 . . . . 52.04 112.411 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.6 tt0 -63.5 -42.94 98.51 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 122.149 -0.345 . . . . 52.03 111.464 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -57.79 -55.62 32.46 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.891 0.377 . . . . 71.2 111.013 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.62 -36.95 93.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.177 -0.535 . . . . 72.4 113.024 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.67 -58.76 6.93 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.603 -0.351 . . . . 45.12 111.149 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -60.18 -35.01 74.41 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.693 0.283 . . . . 72.5 111.238 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.66 71.21 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.956 0.408 . . . . 53.23 111.333 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.66 0.16 49.35 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.995 0.426 . . . . 74.23 111.517 175.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 45.25 71.24 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 116.368 -0.378 . . . . 53.32 113.439 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.4 mt -125.87 148.43 49.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.907 0.385 . . . . 73.32 111.663 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -70.72 109.71 5.1 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.348 -0.387 . . . . 72.35 111.154 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.464 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.4 p -58.34 -35.42 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 112.251 0.463 . . . . 62.43 112.251 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.6 -46.41 85.94 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.003 0.371 . . . . 74.12 112.003 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 26.2 t70 -64.41 -34.23 77.69 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.891 0.376 . . . . 51.52 110.62 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.53 HD13 HD11 ' A' ' 30' ' ' LEU . 63.5 mt -62.78 -47.36 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.165 0.507 . . . . 64.12 110.592 173.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 91.9 mt -57.71 -32.39 67.34 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.03 -0.532 . . . . 74.22 111.501 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 57.8 ttp85 -56.39 -55.12 37.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.878 0.37 . . . . 72.41 111.245 175.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.85 -41.0 96.04 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.141 0.496 . . . . 70.21 110.87 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.25 -51.69 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.298 -0.41 . . . . 73.33 111.991 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 47.8 m-80 -66.71 -25.78 66.7 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.203 -0.31 . . . . 74.25 111.147 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.27 70.89 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.73 0.3 . . . . 63.02 110.944 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 24' ' ' VAL . 91.9 mt -68.69 -25.18 64.66 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.09 0.471 . . . . 73.52 111.217 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.964 0.411 . . . . 61.12 111.127 177.607 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 109.356 -0.609 . . . . 73.12 109.356 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.568 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.7 t -106.23 174.85 5.71 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.49 0.552 . . . . 72.24 112.49 -174.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.743 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.3 ptpt -84.34 -19.85 32.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.335 -0.393 . . . . 64.52 112.01 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.04 -32.81 61.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 72.31 111.507 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 6' ' ' THR . 21.9 ptm -70.66 146.1 50.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.007 0.432 . . . . 74.41 111.153 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 21.4 p -78.44 160.57 27.65 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.912 0.386 . . . . 63.41 111.743 -177.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.421 ' HB3' HD12 ' A' ' 33' ' ' ILE . 87.9 m-85 -53.2 -41.46 65.32 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.334 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.47 79.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.412 -0.358 . . . . 70.12 111.324 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.2 mt-30 -55.97 -48.56 75.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.019 0.438 . . . . 62.34 110.869 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.34 -50.07 75.39 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.174 -0.466 . . . . 64.21 111.969 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 HD21 HD12 ' A' ' 25' ' ' LEU . 97.6 mt -59.03 -33.72 71.07 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.946 0.403 . . . . 75.51 111.842 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -80.07 -17.79 51.75 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 111.869 0.322 . . . . 72.5 111.869 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -74.6 -59.17 2.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.9 0.381 . . . . 73.41 110.868 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.02 123.37 9.51 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 122.722 0.409 . . . . 61.03 110.852 176.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.03 -23.57 53.0 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.815 2.343 . . . . 61.44 113.302 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -30.0 66.0 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 121.297 -0.478 . . . . 64.11 113.16 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.433 HG13 HD22 ' A' ' 61' ' ' LEU . 99.3 t -54.24 -35.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 122.395 0.278 . . . . 62.52 111.558 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.04 77.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.485 -0.325 . . . . 60.41 111.698 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -43.18 99.34 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.158 -0.544 . . . . 52.21 112.821 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.34 -49.01 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.929 0.395 . . . . 51.41 111.53 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 HD12 HD21 ' A' ' 15' ' ' LEU . 87.6 mt -58.35 -47.56 83.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.097 0.475 . . . . 73.02 111.224 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -62.74 -30.31 71.34 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.474 -0.33 . . . . 54.22 111.254 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 t -67.12 -38.86 86.34 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.07 0.462 . . . . 73.23 111.413 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 52' ' ' LEU . 23.8 m-85 -84.09 3.04 36.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.338 0.495 . . . . 73.15 112.338 178.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 70.7 63.33 0.19 Allowed 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.797 0.808 . . . . 52.34 111.192 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 33' ' ' ILE . 95.9 mt -133.55 13.34 4.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.595 -0.73 . . . . 55.33 110.735 175.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.65 -21.76 67.37 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.929 -0.653 . . . . 40.42 113.665 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 35' ' ' CYS . 50.9 t -77.18 -1.04 27.38 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.299 0.481 . . . . 51.32 112.299 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.498 HG23 ' O ' ' A' ' 30' ' ' LEU . 14.1 pt -52.4 -32.75 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 112.749 0.648 . . . . 74.24 112.749 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.19 -45.54 70.29 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.726 -0.749 . . . . 64.23 112.326 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 60.3 m -67.25 -50.88 58.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.749 0.309 . . . . 62.41 111.748 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.4 ptm -74.93 2.72 9.7 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.402 0.519 . . . . 72.11 112.402 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.37 13.45 79.85 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 114.152 0.421 . . . . 31.14 114.152 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 5.2 3.17 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.732 0.641 . . . . 73.15 112.732 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.4 -38.94 75.11 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.817 0.341 . . . . 74.44 111.842 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.73 5.41 43.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.925 0.393 . . . . 75.03 111.574 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 45' ' ' GLN . 29.0 tt0 -103.64 147.05 27.68 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.629 -0.26 . . . . 50.43 110.837 -177.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.522 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 95.9 p -70.22 151.13 45.7 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.018 0.437 . . . . 71.02 111.901 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 6' ' ' THR . 86.3 mt -52.58 -40.3 62.46 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.753 0.649 . . . . 64.4 112.753 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.9 tt0 -66.93 -43.07 84.23 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.833 0.308 . . . . 73.21 111.833 -177.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 78.8 mt-30 -61.22 -52.18 65.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.781 0.324 . . . . 74.24 111.124 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.74 -35.45 86.33 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 121.01 -0.614 . . . . 53.12 112.87 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.5 -56.92 15.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.818 0.342 . . . . 63.13 111.156 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -58.27 -36.11 72.79 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.621 0.248 . . . . 73.54 111.453 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.07 81.24 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.435 -0.348 . . . . 74.34 111.86 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -90.74 -0.23 57.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.824 0.305 . . . . 55.44 111.824 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.72 55.16 6.1 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 121.306 -0.473 . . . . 64.34 112.811 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 28' ' ' TYR . 92.1 mt -128.86 140.21 51.8 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.035 0.445 . . . . 72.42 111.796 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -71.97 103.3 3.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.975 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.47 -35.38 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 116.087 -0.506 . . . . 72.11 112.305 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.82 -36.87 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.697 0.284 . . . . 72.24 111.664 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.42 -32.45 64.42 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.017 0.437 . . . . 70.42 110.72 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.06 -55.14 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.348 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 7' ' ' LYS . 81.9 mt -55.85 -35.58 66.6 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.131 0.491 . . . . 74.22 110.992 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 59' ' ' ARG . 2.1 ttp180 -51.42 -55.67 17.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.611 -0.722 . . . . 73.5 111.675 175.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.71 -33.19 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.954 0.406 . . . . 75.21 111.2 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD22 HG13 ' A' ' 21' ' ' VAL . 83.6 mt -62.43 -51.46 67.45 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 111.955 0.354 . . . . 74.2 111.955 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.071 -0.393 . . . . 63.2 111.117 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.92 71.79 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.695 0.283 . . . . 74.32 111.225 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.84 -35.03 72.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.274 0.559 . . . . 75.24 111.183 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.477 0 CA-C-N 115.999 -0.546 . . . . 75.15 111.431 179.08 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.663 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.7 m-85 . . . . . 0 C--O 1.238 0.455 0 CA-C-O 121.049 0.452 . . . . 54.24 111.899 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -125.09 161.94 25.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.93 -0.577 . . . . 53.22 111.517 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.1 ptpt -64.49 -28.25 69.53 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.29 0.478 . . . . 63.35 112.29 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.39 4.17 54.41 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.702 0.63 . . . . 63.15 112.702 -171.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 25.7 ptm -94.18 153.33 18.14 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.891 -0.506 . . . . 63.22 110.721 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.497 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.4 p -76.48 152.33 36.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.24 0.459 . . . . 74.21 112.24 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -54.68 -37.71 66.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.23 -0.441 . . . . 70.45 111.434 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -51.23 70.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.438 -0.346 . . . . 61.22 111.51 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.7 mt-30 -57.33 -42.97 82.93 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.465 -0.334 . . . . 74.31 111.337 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.24 -50.06 74.07 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.013 0.435 . . . . 72.03 111.178 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.56 -40.37 91.38 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.559 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -68.68 -16.79 63.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.985 0.365 . . . . 71.25 111.985 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.4 m -82.71 -52.95 6.29 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.694 0.283 . . . . 74.21 111.325 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -145.28 128.83 8.53 Favored Pre-proline 0 N--CA 1.476 0.857 0 O-C-N 122.343 -0.223 . . . . 74.24 111.156 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.83 -35.2 87.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.826 2.35 . . . . 74.2 113.511 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -19.13 31.55 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 113.987 0.355 . . . . 63.43 113.987 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.415 HG11 ' HB1' ' A' ' 14' ' ' ALA . 89.8 t -58.53 -32.25 45.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 116.837 0.318 . . . . 61.11 111.12 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.23 82.39 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.916 0.389 . . . . 64.31 111.281 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.13 98.03 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.21 -0.519 . . . . 63.31 112.96 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 64' ' ' LEU . 62.1 t -62.77 -50.69 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.812 0.339 . . . . 74.04 111.194 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.89 -46.96 81.55 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.721 0.296 . . . . 63.31 111.118 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -63.92 -31.54 72.76 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 122.263 -0.273 . . . . 74.31 111.276 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 47.6 t -61.3 -30.65 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.999 0.428 . . . . 54.15 110.991 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -97.62 18.17 16.15 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.62 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.43 28.7 18.14 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.279 0.562 . . . . 74.43 111.769 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 33' ' ' ILE . 73.2 mt -97.26 6.99 47.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 122.55 0.34 . . . . 63.04 111.446 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.95 -27.43 62.15 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.173 -0.537 . . . . 52.54 114.256 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -73.89 3.58 6.5 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.902 0.705 . . . . 62.15 112.902 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 30' ' ' LEU . 18.6 pt -52.21 -36.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 122.14 -0.35 . . . . 70.02 111.862 176.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.23 74.75 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.135 -0.555 . . . . 43.45 112.953 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -82.12 -40.96 21.14 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.91 0.386 . . . . 64.41 111.617 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -88.24 9.34 23.36 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.195 0.443 . . . . 74.11 112.195 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.42 24.51 67.67 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.366 -0.445 . . . . 63.42 113.872 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.34 7.32 6.67 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.31 -0.524 . . . . 71.12 111.869 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -57.89 -39.23 77.39 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.056 0.455 . . . . 75.33 111.357 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -91.5 12.57 20.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.041 -0.527 . . . . 74.22 111.568 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 10' ' ' THR . 34.3 tt0 -107.28 152.15 24.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.52 -0.309 . . . . 75.43 111.104 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 m -71.85 149.92 44.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.936 0.398 . . . . 52.42 112.012 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -54.42 -43.48 71.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.039 -0.528 . . . . 71.33 112.328 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.641 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 46.4 tt0 -60.68 -43.62 97.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.862 0.363 . . . . 73.32 111.899 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.31 -50.94 69.66 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.346 -0.388 . . . . 70.24 111.3 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.59 -36.77 90.75 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.025 -0.607 . . . . 54.55 112.787 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.88 29.47 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.735 0.302 . . . . 75.32 111.066 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -60.51 -31.7 70.75 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.74 -0.209 . . . . 65.44 111.406 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -27.96 68.56 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.937 0.399 . . . . 65.14 111.886 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -106.11 8.97 32.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 111.901 0.334 . . . . 64.43 111.901 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 44.86 88.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.234 -0.508 . . . . 51.45 113.181 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.1 mt -123.32 164.75 18.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.911 0.386 . . . . 74.52 111.578 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -98.16 112.7 24.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.251 -0.431 . . . . 72.45 110.931 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.502 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 10.6 p -57.43 -33.92 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.963 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.3 -34.44 75.23 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.004 0.431 . . . . 73.52 111.621 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.536 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 39.0 t70 -72.33 -37.54 68.86 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.022 0.439 . . . . 70.45 110.922 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.57 -47.84 87.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.687 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.51 -34.37 64.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.984 -0.553 . . . . 74.42 111.437 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.1 ttp85 -51.35 -56.57 12.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.023 0.44 . . . . 54.4 111.594 174.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.72 -32.87 66.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.379 -0.373 . . . . 72.23 111.306 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.16 -52.23 60.02 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.364 0.505 . . . . 60.43 112.364 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.82 -27.72 67.78 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.096 -0.378 . . . . 74.23 111.167 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.7 69.69 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.82 0.343 . . . . 74.44 111.052 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 24' ' ' VAL . 91.8 mt -62.08 -25.33 67.64 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.899 0.381 . . . . 62.35 111.536 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 120.876 0.37 . . . . 51.01 111.629 178.661 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.5 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 . . . . . 0 C--O 1.236 0.393 0 CA-C-O 120.766 0.317 . . . . 75.32 110.872 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.1 t -135.76 154.17 51.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.2 -0.455 . . . . 53.4 111.366 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.2 ptpt -60.83 -19.23 59.43 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.911 0.386 . . . . 74.31 111.822 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.37 -36.92 71.62 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.89 -0.595 . . . . 65.25 112.236 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.61 ' HG2' ' O ' ' A' ' 6' ' ' THR . 18.5 ptm -70.9 155.36 40.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.175 0.512 . . . . 72.41 111.536 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 71.5 p -83.46 159.18 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 62.43 111.908 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HE2' HD13 ' A' ' 30' ' ' LEU . 86.7 m-85 -54.59 -40.86 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.266 -0.425 . . . . 74.04 111.372 176.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.08 84.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.468 -0.333 . . . . 61.03 111.473 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.9 mt-30 -61.16 -45.17 95.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.617 -0.265 . . . . 74.54 111.499 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.81 71.79 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.811 0.339 . . . . 75.32 111.486 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -56.58 -35.99 68.84 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.247 -0.433 . . . . 34.24 111.723 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -80.05 -24.93 40.36 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.459 0.541 . . . . 55.52 112.459 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HD2' ' A' ' 18' ' ' HIS . 79.6 m -71.21 -45.79 62.59 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.051 0.453 . . . . 65.13 110.594 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.402 ' HD2' HG22 ' A' ' 17' ' ' THR . 18.8 m-70 -147.42 118.57 4.55 Favored Pre-proline 0 N--CA 1.474 0.739 0 CA-C-N 116.379 -0.373 . . . . 64.2 111.031 174.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.22 -23.65 37.92 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.797 2.331 . . . . 74.53 113.49 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.41 -20.58 61.29 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 121.397 -0.43 . . . . 74.02 113.063 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.04 -30.67 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.294 0.238 . . . . 71.53 111.383 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -53.44 -49.12 68.03 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.921 0.391 . . . . 64.41 111.413 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.17 96.41 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.109 -0.567 . . . . 75.54 112.594 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 64' ' ' LEU . 46.6 t -59.16 -49.66 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.992 0.425 . . . . 74.24 111.501 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.46 -51.77 67.18 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.268 -0.424 . . . . 74.12 111.222 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 48.5 mtp180 -58.92 -37.38 76.52 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.011 0.434 . . . . 63.34 110.733 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 t -61.8 -30.17 70.64 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.003 -0.544 . . . . 62.45 111.812 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -106.05 29.75 6.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.195 0.442 . . . . 73.44 112.195 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 67.41 6.8 5.12 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.692 0.627 . . . . 71.25 112.692 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.2 mt -91.79 11.63 24.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.719 -0.613 . . . . 44.13 111.815 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.93 -14.53 70.69 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.963 -0.637 . . . . 41.44 113.408 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.7 m -93.59 11.24 29.47 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.354 0.502 . . . . 73.15 112.354 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.61 -35.4 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.374 0.509 . . . . 74.43 112.374 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.82 -24.09 74.2 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.024 -0.607 . . . . 53.52 113.152 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.1 m -85.92 -49.9 7.5 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.813 0.34 . . . . 71.23 111.282 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.46 -21.43 62.79 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.994 0.368 . . . . 65.13 111.994 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.79 65.86 1.28 Allowed Glycine 0 CA--C 1.525 0.704 0 C-N-CA 121.123 -0.56 . . . . 54.33 112.76 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.05 10.5 6.95 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.239 0.829 . . . . 52.32 113.239 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -58.6 -41.27 85.43 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.812 -0.555 . . . . 73.33 111.768 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -93.0 13.09 21.77 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.255 -0.43 . . . . 74.05 111.305 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -106.99 150.33 26.6 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.423 -0.353 . . . . 74.21 110.927 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 50.5 m -73.52 150.63 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.224 0.453 . . . . 70.34 112.224 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.02 -49.0 61.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.78 0.659 . . . . 65.14 112.78 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 34.2 tt0 -59.69 -40.99 89.69 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.975 0.361 . . . . 75.44 111.975 -178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -60.84 -57.05 14.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.649 0.261 . . . . 64.23 111.279 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.87 -37.31 84.07 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.162 -0.542 . . . . 65.11 112.949 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.96 73.72 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.92 0.391 . . . . 63.13 111.133 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -60.24 -38.16 82.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.442 -0.344 . . . . 65.13 111.327 177.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.99 82.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.099 0.476 . . . . 43.31 111.56 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -91.37 6.49 45.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.45 -0.341 . . . . 73.2 111.854 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.91 53.19 39.11 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.546 -0.359 . . . . 63.22 113.12 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.1 mt -123.56 151.52 42.81 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.257 0.465 . . . . 55.35 112.257 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -82.45 101.5 10.71 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.351 173.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 p -57.83 -31.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.075 0.398 . . . . 55.13 112.075 -177.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.91 -47.97 81.25 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.013 0.435 . . . . 62.3 111.73 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -66.07 -30.26 70.74 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.313 0.577 . . . . 75.44 110.825 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.62 -48.59 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.904 -0.589 . . . . 74.14 110.815 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 99.0 mt -55.39 -36.95 66.96 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.72 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.72 -56.36 16.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.227 0.537 . . . . 74.12 111.125 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.33 -33.27 74.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.846 -0.615 . . . . 71.14 111.113 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.69 -52.17 61.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.389 -0.369 . . . . 74.33 111.738 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -64.9 -30.46 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.795 0.331 . . . . 71.3 111.337 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.93 67.46 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.836 0.351 . . . . 74.42 111.772 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.458 HD11 HG21 ' A' ' 24' ' ' VAL . 85.4 mt -69.9 -30.28 67.66 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.083 0.468 . . . . 73.44 111.468 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.422 0 CA-C-N 116.146 -0.479 . . . . 65.25 111.606 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.498 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 87.0 m-85 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 109.749 -0.463 . . . . 74.43 109.749 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.559 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -128.59 165.66 20.36 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.082 0.468 . . . . 75.31 112.175 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -61.33 -24.05 66.17 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.264 -0.426 . . . . 71.31 111.894 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.46 -44.15 91.99 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.684 0.624 . . . . 74.34 112.684 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.3 ptm -71.37 151.67 43.88 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.224 0.535 . . . . 70.43 112.18 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 58.0 p -78.6 158.83 28.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.099 -0.5 . . . . 75.32 112.17 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 90.5 m-85 -54.09 -46.84 72.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.2 -0.454 . . . . 74.32 111.616 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.76 82.02 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 72.2 111.988 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.77 -40.23 94.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.498 -0.319 . . . . 72.4 111.555 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.76 85.82 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.954 0.407 . . . . 71.4 111.078 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 86.4 mt -59.17 -41.35 88.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.116 -0.493 . . . . 73.11 111.397 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -69.43 -27.82 65.6 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.821 0.343 . . . . 74.13 111.815 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.6 m -72.42 -42.42 65.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.901 0.382 . . . . 52.05 110.922 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -149.53 112.28 3.44 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.319 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.19 -30.39 25.56 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.666 2.244 . . . . 64.24 113.167 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -26.99 66.73 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.532 -0.366 . . . . 22.1 113.217 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.449 HG13 HD22 ' A' ' 61' ' ' LEU . 69.3 t -55.72 -36.05 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.813 0.339 . . . . 70.35 111.259 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -54.87 -48.8 72.49 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.483 -0.326 . . . . 64.53 111.395 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.06 98.34 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 121.242 -0.504 . . . . 75.52 112.968 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.86 -52.44 60.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.959 0.409 . . . . 73.52 111.127 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD12 HD21 ' A' ' 15' ' ' LEU . 89.0 mt -58.02 -50.07 74.68 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.356 -0.384 . . . . 61.21 111.488 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 19.9 mtp180 -60.78 -37.2 81.09 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.901 0.381 . . . . 73.04 111.225 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -62.8 -37.75 87.96 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.9 0.381 . . . . 74.44 111.01 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -88.96 30.1 0.97 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.309 0.485 . . . . 54.3 112.309 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 66.04 16.15 10.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.223 0.453 . . . . 75.42 112.223 173.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 33' ' ' ILE . 88.2 mt -100.47 18.16 19.76 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.808 -0.558 . . . . 75.4 111.932 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.27 72.16 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 121.258 -0.496 . . . . 72.41 113.92 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.14 -9.96 58.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.906 0.706 . . . . 74.13 112.906 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 30' ' ' LEU . 32.7 pt -51.27 -31.52 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.666 0.617 . . . . 73.33 112.666 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.47 67.6 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 121.233 -0.508 . . . . 71.21 113.09 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.13 -48.47 8.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.555 -0.38 . . . . 61.23 111.787 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 ptm -75.8 13.97 0.74 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 112.921 0.712 . . . . 63.13 112.921 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.53 5.67 64.21 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 121.219 -0.515 . . . . 54.42 114.053 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.47 -4.45 11.39 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 117.157 0.479 . . . . 72.22 112.265 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.43 -36.96 62.1 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.988 0.423 . . . . 73.14 111.065 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -92.65 13.94 18.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.973 -0.558 . . . . 62.01 111.647 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -115.1 151.01 35.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.825 0.345 . . . . 73.24 111.429 -176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.57 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 71.2 m -72.49 152.33 41.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.079 0.466 . . . . 60.11 112.052 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 6' ' ' THR . 85.8 mt -52.57 -48.23 66.34 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.464 0.913 . . . . 64.11 113.464 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.5 tt0 -68.17 -40.4 82.31 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.127 0.417 . . . . 75.52 112.127 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -55.31 -50.43 69.6 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.057 0.456 . . . . 73.2 110.81 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.46 91.39 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.195 -0.526 . . . . 72.42 112.814 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 122.579 -0.365 . . . . 63.05 111.079 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -58.34 -36.84 74.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.765 0.317 . . . . 74.12 111.522 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.06 70.6 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.978 0.418 . . . . 62.43 111.689 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -106.28 8.82 32.04 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.003 0.372 . . . . 62.4 112.003 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.11 40.36 99.1 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 121.63 -0.319 . . . . 72.04 113.818 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.8 163.44 15.85 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.2 0.524 . . . . 72.04 111.729 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -94.05 113.42 25.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.957 -0.565 . . . . 44.43 110.428 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.7 p -57.53 -33.9 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 116.491 -0.322 . . . . 52.41 111.839 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.4 -31.82 72.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.246 0.461 . . . . 64.42 112.246 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 17.0 t70 -70.88 -35.45 72.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.262 0.553 . . . . 74.21 109.895 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 55.8 mt -69.84 -49.93 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.989 -0.55 . . . . 72.24 110.95 175.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 85.8 mt -54.67 -33.34 60.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.323 -0.399 . . . . 63.34 111.275 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 17.9 ttp-105 -50.98 -53.82 29.78 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.995 -0.548 . . . . 73.04 110.734 175.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -39.3 66.78 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.819 -0.628 . . . . 70.35 111.156 -177.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.472 HD12 HD23 ' A' ' 58' ' ' LEU . 76.7 mt -57.49 -51.09 70.87 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.417 -0.356 . . . . 72.2 111.824 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.13 -28.42 65.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.997 0.427 . . . . 74.41 110.683 176.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 -16.64 63.97 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.511 -0.313 . . . . 73.23 111.83 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.48 -29.51 67.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.203 0.525 . . . . 74.21 110.722 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.584 0 CA-C-N 116.05 -0.523 . . . . 54.43 111.903 -179.138 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.465 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.5 m-85 . . . . . 0 CA--C 1.537 0.448 0 CA-C-O 120.871 0.367 . . . . 75.44 111.262 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.0 t -112.21 170.65 8.02 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.266 0.555 . . . . 63.42 111.976 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.7 ptpt -83.37 -11.67 57.37 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.829 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.54 -25.66 19.13 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.039 0.385 . . . . 74.14 112.039 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.2 ptm -69.97 150.3 46.84 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.873 0.368 . . . . 71.32 111.455 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.6 p -77.88 159.22 29.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.884 0.373 . . . . 71.52 111.908 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -55.9 -40.26 72.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.301 -0.408 . . . . 72.15 110.979 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.68 -47.97 72.99 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.101 -0.499 . . . . 62.01 111.743 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.443 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.6 mt-30 -57.78 -54.1 50.66 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.986 0.422 . . . . 65.53 111.153 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.24 71.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.108 -0.496 . . . . 71.44 112.024 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 25' ' ' LEU . 95.2 mt -59.54 -30.98 68.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.25 0.463 . . . . 72.25 112.25 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -87.74 -20.27 26.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 111.929 0.344 . . . . 72.44 111.929 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.458 HG22 ' HD2' ' A' ' 18' ' ' HIS . 41.5 m -72.13 -59.21 2.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.142 0.496 . . . . 73.54 110.831 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.458 ' HD2' HG22 ' A' ' 17' ' ' THR . 7.3 m-70 -130.23 123.77 20.87 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 122.235 -0.29 . . . . 62.22 110.78 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.7 -30.6 56.96 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.95 2.433 . . . . 61.22 113.282 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.4 -24.1 67.24 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 121.597 -0.335 . . . . 42.32 113.818 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.21 -36.15 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.834 0.317 . . . . 73.24 111.655 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -57.92 -46.81 84.44 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.871 0.367 . . . . 42.44 111.216 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.04 96.79 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.163 -0.542 . . . . 64.15 112.468 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.41 -52.96 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-O 121.06 0.457 . . . . 72.53 111.407 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 15' ' ' LEU . 86.0 mt -56.65 -45.0 81.89 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.797 0.295 . . . . 72.31 111.797 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 42.5 mtp180 -63.15 -31.05 72.09 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.799 0.333 . . . . 64.21 111.267 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -69.61 -42.59 74.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.869 0.366 . . . . 63.41 111.486 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -82.8 0.7 42.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.148 0.425 . . . . 74.41 112.148 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.1 t30 69.96 61.67 0.25 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.669 0.747 . . . . 54.34 111.57 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 33' ' ' ILE . 81.5 mt -132.02 5.98 4.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.278 -0.874 . . . . 72.24 110.964 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.33 -17.63 62.03 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.224 -0.512 . . . . 53.14 113.299 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 36' ' ' MET . 58.1 m -66.14 -9.94 36.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.33 0.492 . . . . 72.34 112.33 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 30' ' ' LEU . 16.7 pt -51.69 -45.08 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.798 0.666 . . . . 63.33 112.798 -178.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -46.95 93.35 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.623 -0.798 . . . . 62.11 112.708 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.12 -42.79 99.58 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.074 0.398 . . . . 72.13 112.074 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.8 ptm -87.09 1.37 53.17 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.249 0.462 . . . . 73.12 112.249 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.51 28.89 72.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 121.284 -0.484 . . . . 22.14 113.578 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.17 15.49 5.14 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.547 0.573 . . . . 71.23 112.547 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -59.04 -35.62 73.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.228 0.537 . . . . 73.21 111.522 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -79.87 -5.56 55.74 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.823 -0.626 . . . . 73.42 111.997 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -91.56 148.9 21.95 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.36 -0.382 . . . . 62.04 111.072 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.3 p -78.06 155.14 30.78 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.038 0.447 . . . . 73.32 112.056 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 6' ' ' THR . 86.6 mt -53.06 -44.11 67.2 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.285 0.476 . . . . 65.14 112.285 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 36.4 tt0 -69.11 -49.51 56.47 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.174 0.435 . . . . 75.42 112.174 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.7 -39.29 90.97 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.911 0.386 . . . . 75.3 110.77 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.0 -42.98 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.974 -0.632 . . . . 32.1 112.954 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.65 -58.29 8.11 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.62 -0.341 . . . . 63.23 111.084 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -61.32 -34.55 75.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.526 -0.306 . . . . 62.21 111.786 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.94 64.02 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.809 0.338 . . . . 52.32 111.639 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -105.41 -7.44 18.77 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.714 0.293 . . . . 70.13 111.69 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.76 37.28 6.14 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 121.432 -0.413 . . . . 44.45 113.84 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 HD21 ' A' ' 30' ' ' LEU . 82.6 mt -123.73 151.22 43.46 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.416 -0.461 . . . . 74.11 111.532 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.403 HD21 ' HB2' ' A' ' 55' ' ' GLU . 32.1 t30 -88.9 118.73 28.82 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.917 0.389 . . . . 74.32 110.966 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.431 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 13.8 p -61.42 -32.85 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.333 0.494 . . . . 70.45 112.333 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 53' ' ' ASN . 6.9 mm-40 -54.9 -47.62 74.09 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.096 0.474 . . . . 72.15 111.462 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.814 -0.63 . . . . 65.54 111.23 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.57 -47.32 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.962 -0.563 . . . . 71.43 111.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.404 HD23 HD12 ' A' ' 61' ' ' LEU . 91.7 mt -55.52 -34.15 64.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.777 0.322 . . . . 62.11 111.828 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -56.78 -49.97 73.71 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.39 -0.368 . . . . 72.42 111.318 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.96 -34.04 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.986 0.422 . . . . 64.23 111.207 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 58' ' ' LEU . 82.8 mt -63.05 -52.09 64.19 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.09 0.404 . . . . 75.34 112.09 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -67.25 -25.64 66.17 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 111.756 0.28 . . . . 72.2 111.756 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.85 -30.17 67.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.872 0.368 . . . . 52.22 111.094 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.71 -16.64 64.24 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.119 -0.491 . . . . 73.42 111.701 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 120.911 0.386 . . . . 62.15 111.46 177.744 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.647 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 70.8 m-85 . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 120.827 0.346 . . . . 72.31 110.21 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.6 t -123.1 161.5 24.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.214 -0.448 . . . . 71.5 111.94 -177.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -62.75 -24.85 67.9 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.988 0.366 . . . . 44.31 111.988 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -81.21 -24.88 37.15 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.823 0.675 . . . . 71.0 112.823 -173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.647 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.9 ptm -78.12 152.33 32.88 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.037 -0.414 . . . . 75.54 111.524 -176.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.2 p -74.96 156.26 36.5 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.163 0.506 . . . . 52.34 112.302 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -56.15 -41.11 74.89 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.27 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.81 81.1 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.157 -0.474 . . . . 53.31 111.585 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.81 -43.26 98.4 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.901 0.381 . . . . 72.15 111.333 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.502 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.27 -49.27 76.6 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.369 -0.378 . . . . 73.14 111.524 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.921 0.341 . . . . 72.35 111.921 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -72.7 -35.23 67.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.143 0.497 . . . . 72.43 111.516 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.4 m -68.52 -42.21 78.83 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.319 -0.4 . . . . 70.22 111.868 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -154.2 122.56 3.02 Favored Pre-proline 0 N--CA 1.473 0.69 0 CA-C-O 120.702 0.287 . . . . 74.42 111.754 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.78 -33.59 88.46 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.8 2.333 . . . . 64.44 112.906 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.63 -21.23 34.7 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.427 -0.416 . . . . 71.03 113.513 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.502 HG11 ' HB1' ' A' ' 14' ' ' ALA . 89.8 t -60.85 -35.05 61.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 120.703 0.287 . . . . 62.21 111.096 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.59 79.62 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.499 -0.318 . . . . 71.52 111.343 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.8 -42.03 99.7 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.148 -0.548 . . . . 44.31 112.733 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.27 -53.13 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.937 0.399 . . . . 51.5 111.078 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.08 -50.84 71.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.584 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -56.95 -44.92 83.06 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 111.752 0.279 . . . . 64.32 111.752 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -59.28 -34.28 72.08 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.113 0.483 . . . . 72.52 111.323 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' O ' HD11 ' A' ' 52' ' ' LEU . 7.2 m-85 -90.57 12.41 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.626 0.602 . . . . 72.34 112.626 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 69.95 22.49 5.81 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 121.61 0.719 . . . . 60.2 111.502 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 33' ' ' ILE . 80.9 mt -101.21 -2.33 31.55 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.962 -0.462 . . . . 74.22 111.955 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.14 58.87 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.891 -0.671 . . . . 73.2 113.195 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.05 -1.31 14.24 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.651 0.611 . . . . 64.43 112.651 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 30' ' ' LEU . 14.2 pt -49.82 -38.45 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.167 0.432 . . . . 70.12 112.167 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.88 -47.41 83.21 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.019 -0.61 . . . . 72.02 112.523 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.64 -35.23 79.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.182 0.438 . . . . 71.14 112.182 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 ptm -88.8 -6.38 57.42 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.196 -0.315 . . . . 72.41 111.501 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.94 23.5 69.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.281 0.473 . . . . 55.15 114.281 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 24.07 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.451 0.537 . . . . 52.52 112.451 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.14 -43.73 98.18 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.258 0.466 . . . . 72.33 112.258 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -90.23 13.87 14.12 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.924 0.342 . . . . 52.23 111.924 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.82 145.94 29.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.881 0.372 . . . . 73.2 111.136 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 151.3 47.07 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.148 0.499 . . . . 55.54 112.233 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 6' ' ' THR . 90.0 mt -52.43 -45.55 66.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.063 0.764 . . . . 72.15 113.063 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.728 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.2 tt0 -63.5 -44.14 95.2 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.094 0.405 . . . . 71.31 112.094 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.23 -51.71 68.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.692 0.282 . . . . 74.44 111.229 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.82 93.83 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 121.154 -0.546 . . . . 71.1 112.88 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.88 52.47 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.726 0.298 . . . . 72.54 111.131 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -63.29 -33.84 76.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.577 0.227 . . . . 74.04 111.458 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.31 -28.51 68.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.008 0.432 . . . . 52.04 111.322 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -103.62 -1.35 28.33 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.454 -0.339 . . . . 75.5 111.835 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.79 57.38 4.15 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.654 -0.308 . . . . 70.24 113.801 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 28' ' ' TYR . 59.5 mt -131.72 165.65 23.26 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.571 -0.37 . . . . 62.54 111.683 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -94.46 112.13 23.9 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.732 -0.469 . . . . 72.24 109.732 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.1 p -59.02 -35.26 56.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 N-CA-C 111.904 0.335 . . . . 74.23 111.904 -178.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.41 -45.23 95.18 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.905 0.383 . . . . 74.04 111.579 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 15.7 t70 -62.48 -35.84 80.62 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.934 0.397 . . . . 61.31 110.8 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.0 mt -67.23 -51.12 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.068 -0.514 . . . . 73.31 110.857 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 89.2 mt -55.91 -32.97 64.24 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.052 -0.522 . . . . 73.31 111.274 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 7.0 ttp85 -51.44 -54.53 25.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.218 -0.446 . . . . 71.45 111.392 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -70.73 -43.08 69.65 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.27 -0.423 . . . . 75.51 110.917 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG22 ' A' ' 21' ' ' VAL . 81.0 mt -56.46 -51.33 68.85 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.174 0.435 . . . . 72.32 112.174 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -69.56 -26.76 64.64 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.997 0.427 . . . . 73.4 110.987 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.36 69.5 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.562 -0.29 . . . . 44.21 111.139 175.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.9 -28.54 69.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.994 0.426 . . . . 70.11 111.172 174.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.488 0 CA-C-N 116.181 -0.463 . . . . 61.31 111.599 179.193 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.584 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.3 m-85 . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.17 0.51 . . . . 65.02 111.505 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 9' ' ' MET . 6.3 t -139.95 165.3 27.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.179 -0.464 . . . . 61.11 111.516 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -64.96 -24.69 67.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.367 -0.379 . . . . 70.24 111.848 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.64 -43.37 89.7 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.135 -0.484 . . . . 74.22 112.026 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.8 ptm -74.4 154.04 38.98 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.17 0.51 . . . . 64.5 111.645 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 37.3 p -82.83 162.63 21.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.092 0.472 . . . . 74.52 112.161 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HE2' HD13 ' A' ' 30' ' ' LEU . 86.9 m-85 -55.14 -43.34 74.08 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.147 -0.479 . . . . 71.1 111.514 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.82 79.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.869 0.366 . . . . 54.43 111.512 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.3 mt-30 -57.99 -46.77 84.69 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.311 -0.404 . . . . 72.2 111.119 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.75 -49.61 76.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.826 0.346 . . . . 51.44 111.394 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.78 -35.58 78.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.168 -0.469 . . . . 65.41 111.841 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -76.22 -25.09 54.75 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.94 0.348 . . . . 75.41 111.94 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -73.05 -52.94 12.44 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.572 0.225 . . . . 61.53 110.94 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.6 m-70 -145.85 134.11 10.74 Favored Pre-proline 0 N--CA 1.474 0.738 0 CA-C-O 120.681 0.277 . . . . 74.32 111.286 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 38.3 Cg_exo -60.82 -34.22 91.74 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.959 2.44 . . . . 75.13 113.641 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.86 -22.77 35.34 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 114.096 0.399 . . . . 72.03 114.096 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 89.9 t -54.71 -37.4 39.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.865 0.364 . . . . 65.53 111.717 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.44 76.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.975 0.416 . . . . 52.44 111.617 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.78 94.47 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.274 -0.489 . . . . 62.4 112.413 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.49 -46.66 96.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 120.973 0.416 . . . . 73.0 111.313 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 33' ' ' ILE . 91.5 mt -57.47 -53.08 62.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.308 -0.405 . . . . 75.11 110.945 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -57.37 -39.06 75.23 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.948 0.404 . . . . 72.43 111.359 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t -61.25 -30.52 70.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.594 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.408 ' O ' HD11 ' A' ' 52' ' ' LEU . 49.9 m-85 -107.52 36.13 2.83 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.734 0.642 . . . . 74.52 112.734 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 66.0 9.44 6.17 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 112.512 0.56 . . . . 62.32 112.512 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.3 mt -94.41 23.74 5.0 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.74 -0.6 . . . . 54.41 111.451 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.36 -5.16 87.59 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.783 -0.722 . . . . 73.25 112.96 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 44.4 t -100.66 15.03 29.53 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.937 0.398 . . . . 74.44 111.625 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -56.58 -35.55 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.336 0.495 . . . . 71.44 112.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.88 -33.83 85.25 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.054 -0.594 . . . . 74.4 113.18 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 52.2 t -77.54 -33.34 54.22 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.546 -0.385 . . . . 54.31 111.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.7 ptm -91.2 6.1 46.44 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.26 0.467 . . . . 72.12 112.26 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.63 26.86 71.23 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.177 -0.535 . . . . 60.15 113.531 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.11 2.11 13.82 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.902 0.704 . . . . 61.51 112.902 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -56.47 -45.48 80.88 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.927 -0.483 . . . . 61.2 111.313 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -91.97 18.17 8.27 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.277 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -113.83 144.0 43.73 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.249 -0.432 . . . . 74.52 111.147 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.554 ' HB2' HE21 ' A' ' 45' ' ' GLN . 68.4 m -69.73 149.82 47.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.872 0.368 . . . . 74.03 111.753 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 6' ' ' THR . 94.2 mt -52.91 -43.71 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.921 0.711 . . . . 73.02 112.921 -176.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.712 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.3 tt0 -63.88 -48.89 74.88 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.799 0.333 . . . . 75.41 111.666 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.554 HE21 ' HB2' ' A' ' 42' ' ' SER . 51.0 mt-30 -57.21 -40.07 76.71 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.772 0.32 . . . . 63.14 111.729 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.36 64.44 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.176 -0.535 . . . . 71.15 112.69 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.36 -55.12 37.4 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.924 0.393 . . . . 64.42 111.769 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -62.32 -31.6 72.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.722 0.296 . . . . 64.51 111.778 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.42 68.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.125 0.488 . . . . 43.02 111.23 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -105.91 16.29 25.35 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.185 -0.461 . . . . 64.11 111.364 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.38 39.72 96.58 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 116.457 -0.338 . . . . 33.34 113.806 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 28' ' ' TYR . 60.0 mt -106.62 168.44 9.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.419 0.628 . . . . 72.44 112.443 -176.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -102.1 102.29 12.75 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.489 -0.778 . . . . 61.14 110.406 174.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.0 p -56.32 -34.17 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 112.554 0.576 . . . . 63.43 112.554 -176.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -59.99 -37.96 81.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.813 0.34 . . . . 72.34 111.835 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 9.7 t70 -74.05 -41.34 61.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.886 0.374 . . . . 74.13 110.454 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.5 mt -55.73 -48.63 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 116.286 -0.416 . . . . 53.41 111.055 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 71.9 mt -58.94 -37.98 77.97 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.881 0.372 . . . . 74.44 111.074 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 13.2 ttp180 -55.89 -51.56 67.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.204 -0.453 . . . . 75.45 111.25 176.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.78 -32.85 68.07 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.186 -0.461 . . . . 40.3 111.364 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.3 -52.38 47.92 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.52 0.563 . . . . 53.42 112.52 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -65.67 -25.02 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.906 -0.496 . . . . 63.1 111.29 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.13 65.29 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.381 -0.372 . . . . 64.33 111.508 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.56 -30.77 71.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.878 0.37 . . . . 70.22 111.585 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 120.951 0.405 . . . . 73.41 111.441 179.409 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.778 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 94.0 m-85 . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 109.523 -0.547 . . . . 72.15 109.523 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.0 t -112.8 173.81 6.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.267 0.556 . . . . 72.21 112.217 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -71.53 -27.13 62.98 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.155 -0.475 . . . . 64.11 111.368 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.04 -33.54 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.652 -0.704 . . . . 71.23 112.396 -175.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.778 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.5 ptm -71.46 152.71 42.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.118 0.485 . . . . 73.35 111.652 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 69.6 p -86.36 162.07 18.38 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.326 0.491 . . . . 74.23 112.326 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -57.43 -40.59 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.241 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.76 77.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.818 0.342 . . . . 45.24 111.265 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.96 -47.18 83.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.377 -0.374 . . . . 72.21 111.299 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -58.9 -52.37 66.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.776 0.322 . . . . 53.13 111.786 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.05 -39.97 75.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.087 0.403 . . . . 71.04 112.087 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -76.62 -33.7 58.36 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.576 0.584 . . . . 62.33 112.576 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -58.28 -51.25 70.58 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.816 0.341 . . . . 73.12 111.425 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.2 m-70 -141.39 135.05 14.67 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.554 -0.294 . . . . 61.21 111.623 178.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 31.4 Cg_exo -58.61 -45.73 28.07 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.905 2.403 . . . . 61.04 113.287 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.18 -14.75 27.0 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 114.475 0.55 . . . . 75.52 114.475 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 14' ' ' ALA . 83.9 t -56.26 -36.1 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 117.156 0.478 . . . . 50.24 111.785 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.89 74.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.002 0.429 . . . . 73.42 111.349 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.03 -37.5 92.84 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 121.295 -0.479 . . . . 60.35 113.099 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 64' ' ' LEU . 82.7 t -63.94 -55.2 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 120.927 0.394 . . . . 65.12 111.234 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.79 -48.03 70.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.901 0.382 . . . . 74.05 111.399 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -60.39 -37.91 82.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.903 0.382 . . . . 54.33 111.459 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -61.04 -33.8 73.86 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.911 0.386 . . . . 71.23 111.736 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -97.06 5.87 49.58 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.748 0.647 . . . . 72.43 112.748 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 75.08 54.54 0.07 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.742 0.782 . . . . 75.4 111.171 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' ILE . 85.5 mt -130.3 14.46 5.6 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.713 -0.676 . . . . 73.4 110.839 172.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -16.24 76.56 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.001 -0.619 . . . . 55.04 112.858 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' MET . 64.0 m -72.6 -5.45 37.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.332 0.493 . . . . 74.45 112.332 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 30' ' ' LEU . 25.6 pt -54.71 -26.02 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 112.696 0.628 . . . . 72.33 112.696 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.8 -48.14 10.67 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.647 -0.787 . . . . 73.44 112.301 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.72 -42.83 81.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.097 0.406 . . . . 52.14 112.097 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 20.7 ptm -84.35 -5.42 59.27 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.01 0.374 . . . . 70.24 112.01 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 50.6 41.73 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.182 -0.532 . . . . 52.3 113.714 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.19 21.97 14.04 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.423 -0.457 . . . . 62.42 111.873 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -62.93 -47.1 84.68 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.052 0.39 . . . . 64.1 112.052 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -83.76 6.23 21.95 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.324 -0.398 . . . . 72.2 111.559 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -96.09 147.44 23.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.74 0.305 . . . . 72.14 111.231 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 53.1 m -71.37 149.67 45.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.839 0.352 . . . . 73.45 111.677 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.18 -43.91 64.39 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.115 -0.493 . . . . 70.44 112.267 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.7 tt0 -59.88 -46.6 88.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.029 0.443 . . . . 75.32 111.834 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -62.49 -41.27 98.7 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.231 -0.441 . . . . 63.4 111.333 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.26 -39.21 82.27 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.158 -0.544 . . . . 61.01 112.901 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -55.76 30.24 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.045 0.45 . . . . 53.2 111.223 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -60.23 -29.63 68.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.305 -0.407 . . . . 74.04 111.751 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.9 74.73 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.824 0.345 . . . . 63.21 111.865 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -104.56 11.26 34.49 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 111.706 0.261 . . . . 62.22 111.706 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.61 50.54 48.14 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.428 -0.415 . . . . 14.3 113.282 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.2 mt -124.46 143.64 50.53 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.847 0.356 . . . . 74.22 111.764 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -74.84 114.98 13.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.71 0.291 . . . . 74.44 110.441 173.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 p -56.43 -35.3 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.135 0.42 . . . . 62.41 112.135 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.59 -50.05 75.22 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.908 0.385 . . . . 64.13 111.84 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.35 -37.29 86.99 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.93 0.395 . . . . 75.35 111.281 -176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD13 HD11 ' A' ' 30' ' ' LEU . 60.6 mt -65.76 -53.05 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.964 0.411 . . . . 61.04 111.158 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 86.2 mt -55.39 -34.48 64.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.407 -0.36 . . . . 71.12 111.61 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -52.99 -55.59 22.39 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.286 -0.415 . . . . 73.11 111.633 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.81 -32.92 71.62 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.86 0.362 . . . . 63.35 111.362 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.43 -51.49 67.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.817 0.342 . . . . 71.13 111.713 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 45.8 m-80 -66.49 -27.99 68.22 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 122.079 -0.388 . . . . 73.52 111.298 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -25.37 67.67 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.715 0.293 . . . . 52.44 111.351 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 24' ' ' VAL . 92.9 mt -68.01 -31.71 71.59 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.152 0.501 . . . . 63.23 110.979 173.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 116.042 -0.526 . . . . 53.45 111.666 178.343 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.62 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.9 m-85 . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 120.875 0.369 . . . . 73.31 111.503 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.516 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -122.28 167.25 13.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.122 -0.49 . . . . 62.25 111.605 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.705 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -69.78 -25.04 63.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.909 0.385 . . . . 64.33 111.601 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -80.06 -31.88 39.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.91 -0.587 . . . . 74.22 112.341 -173.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 26.0 ptm -69.85 158.8 34.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.137 0.494 . . . . 71.31 112.084 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 22.2 p -84.22 156.65 21.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.179 -0.464 . . . . 72.33 112.131 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -55.0 -43.58 73.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.385 -0.37 . . . . 70.4 111.814 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -55.68 -51.22 67.99 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.775 0.321 . . . . 74.33 111.545 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.0 mt-30 -56.06 -46.2 79.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.319 -0.401 . . . . 53.44 111.349 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.97 -48.26 82.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.337 -0.392 . . . . 72.23 111.422 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 25' ' ' LEU . 96.3 mt -59.72 -34.07 72.44 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.175 -0.466 . . . . 75.25 112.015 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 23.5 mm-40 -76.46 -37.57 56.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.835 0.35 . . . . 65.11 111.236 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -58.5 -51.52 69.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.23 -0.441 . . . . 71.02 111.717 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.89 142.59 18.03 Favored Pre-proline 0 N--CA 1.472 0.636 0 CA-C-O 120.773 0.32 . . . . 55.24 111.201 175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.66 -23.57 14.46 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.707 2.272 . . . . 62.41 113.249 -175.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -24.74 64.84 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.139 -0.553 . . . . 55.5 113.021 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 59.3 t -55.29 -39.94 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 120.749 0.309 . . . . 72.53 111.3 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.61 76.16 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.828 0.347 . . . . 71.23 111.395 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.87 -38.34 93.91 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.235 -0.507 . . . . 74.12 112.769 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.96 -51.17 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 122.57 -0.371 . . . . 70.15 111.407 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD12 HD21 ' A' ' 15' ' ' LEU . 83.0 mt -56.8 -46.05 81.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.823 0.344 . . . . 71.44 111.394 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -61.41 -34.96 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.003 0.43 . . . . 65.03 111.234 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -69.54 -34.05 73.67 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.153 0.501 . . . . 72.2 111.477 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -95.92 31.88 2.01 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.259 -0.428 . . . . 74.31 111.855 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.84 -8.94 0.6 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.958 0.725 . . . . 72.53 112.958 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 33' ' ' ILE . 89.4 mt -78.54 3.63 15.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.839 -0.538 . . . . 74.42 111.964 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.19 -11.86 34.88 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 121.27 -0.491 . . . . 65.24 113.779 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.0 m -90.06 8.93 30.14 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.491 0.552 . . . . 51.33 112.491 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 30' ' ' LEU . 18.0 pt -56.29 -33.73 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 112.196 0.443 . . . . 65.4 112.196 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.16 -48.62 73.17 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.911 -0.661 . . . . 61.33 112.882 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.32 -42.32 91.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.941 0.348 . . . . 61.34 111.941 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -83.51 -6.51 59.47 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.814 0.34 . . . . 71.04 111.717 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.54 25.82 75.12 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 121.606 -0.33 . . . . 74.34 113.813 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.74 54.17 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.267 0.556 . . . . 72.14 111.672 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -84.35 -42.93 15.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.263 -0.426 . . . . 72.13 111.124 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.64 -7.14 58.58 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.159 -0.473 . . . . 44.34 111.302 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.42 142.64 40.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.431 -0.35 . . . . 73.02 110.694 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 32.7 m -73.57 150.64 41.32 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.866 0.321 . . . . 63.05 111.866 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 6' ' ' THR . 82.9 mt -51.82 -43.74 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.359 0.503 . . . . 72.11 112.359 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.705 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.0 tt0 -62.4 -48.53 79.34 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.802 0.334 . . . . 74.13 111.515 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -55.04 -53.0 61.42 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.268 -0.424 . . . . 70.02 111.286 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.0 -38.28 96.35 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 121.204 -0.522 . . . . 42.52 113.263 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.47 -56.14 25.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.973 0.416 . . . . 74.53 111.326 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -63.04 -29.68 71.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.386 -0.37 . . . . 72.44 111.624 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.04 76.84 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.879 0.371 . . . . 61.11 111.599 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -98.01 6.88 47.14 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.298 0.481 . . . . 75.43 112.298 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 31.76 33.94 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.03 -0.605 . . . . 73.11 114.384 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.4 mt -127.6 166.23 18.43 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.479 -0.424 . . . . 74.33 110.928 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -101.57 132.67 47.09 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 73.24 110.453 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.555 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 12.4 p -61.87 -32.04 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.912 0.708 . . . . 75.54 112.912 -173.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.7 -46.33 88.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.597 0.591 . . . . 73.54 112.597 -174.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -56.77 -42.02 78.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.232 0.539 . . . . 73.31 110.907 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.12 -49.57 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.08 -0.509 . . . . 75.04 110.907 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' HG ' HG22 ' A' ' 54' ' ' VAL . 92.7 mt -56.38 -38.44 71.47 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.506 -0.315 . . . . 63.11 111.406 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.04 -48.01 71.0 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.846 0.355 . . . . 74.14 111.076 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.33 -38.02 68.74 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.776 0.322 . . . . 61.11 111.059 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.27 -51.84 66.09 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.972 0.415 . . . . 63.34 111.884 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -67.43 -26.22 66.31 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.796 0.332 . . . . 64.14 111.038 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.17 66.37 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.623 0.249 . . . . 72.31 111.205 174.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.04 -23.2 64.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.841 0.353 . . . . 63.22 111.364 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.544 0 CA-C-O 121.13 0.49 . . . . 41.45 110.91 175.791 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.548 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 84.8 m-85 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.898 0.38 . . . . 63.13 110.593 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.8 t -116.16 165.96 12.56 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.048 -0.524 . . . . 72.21 111.572 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.0 ptpt -74.16 -14.5 60.97 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.15 0.426 . . . . 74.24 112.15 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -83.42 -37.23 23.51 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.275 0.472 . . . . 62.14 112.275 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.2 ptm -63.34 152.19 38.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 120.883 0.373 . . . . 74.22 111.414 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.472 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 45.5 p -81.16 157.39 25.31 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.976 0.417 . . . . 61.13 111.913 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 33' ' ' ILE . 97.9 m-85 -53.53 -43.43 68.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.579 178.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -49.62 73.78 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.383 -0.371 . . . . 63.13 111.714 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.6 mt-30 -56.02 -49.74 72.84 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.88 0.371 . . . . 74.34 110.997 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.79 -49.05 74.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.315 -0.402 . . . . 75.41 111.581 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 HD12 ' A' ' 25' ' ' LEU . 96.7 mt -57.59 -36.16 71.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.099 0.407 . . . . 75.32 112.099 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.41 -19.33 42.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.955 0.407 . . . . 75.44 111.747 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -79.64 -41.1 27.67 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.781 0.324 . . . . 51.21 111.56 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -149.25 129.12 6.54 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 122.389 0.276 . . . . 53.11 111.327 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.28 -36.9 97.24 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.88 2.387 . . . . 63.54 113.319 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -19.98 54.74 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.354 -0.45 . . . . 75.03 113.708 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.44 -34.91 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.828 0.347 . . . . 74.01 111.369 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.75 -46.9 83.85 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.882 0.373 . . . . 51.53 111.206 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.11 98.74 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.094 -0.574 . . . . 72.52 112.836 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.96 -54.27 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.31 111.323 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 HD21 ' A' ' 15' ' ' LEU . 91.0 mt -58.77 -42.11 88.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.36 . . . . 72.41 111.578 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -60.69 -44.66 96.27 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.847 0.356 . . . . 65.41 111.226 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -57.65 -42.58 83.74 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.031 0.444 . . . . 62.44 111.313 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.03 20.57 2.23 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.382 0.512 . . . . 71.4 112.382 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 70.01 -3.47 1.75 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 112.566 0.58 . . . . 75.45 112.566 175.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 33' ' ' ILE . 83.2 mt -77.65 -3.13 39.42 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.919 -0.488 . . . . 73.11 112.087 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.03 -17.82 17.52 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 121.357 -0.449 . . . . 62.14 113.577 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.8 m -68.69 -10.86 58.84 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 122.424 -0.457 . . . . 71.13 111.903 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 30' ' ' LEU . 31.6 pt -54.88 -37.19 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.677 0.275 . . . . 54.24 111.351 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.94 52.87 4.76 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.78 -0.528 . . . . 41.34 111.78 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.2 t -172.0 -43.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.88 0.472 . . . . 71.53 110.552 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.5 ptm -88.39 -0.38 57.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.113 0.412 . . . . 74.35 112.113 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 41.15 54.22 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 121.06 -0.591 . . . . 63.32 113.293 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.2 17.61 23.68 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 122.472 -0.428 . . . . 42.53 111.988 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -60.13 -37.99 81.71 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.524 0.565 . . . . 72.53 112.524 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -95.58 19.81 10.53 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.842 0.353 . . . . 74.25 111.921 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -105.6 146.06 30.16 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.713 0.292 . . . . 71.22 110.981 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 m -63.33 150.06 44.26 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.855 0.317 . . . . 74.43 111.855 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 6' ' ' THR . 81.8 mt -53.74 -49.26 68.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.165 0.432 . . . . 73.14 112.165 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 28.4 tt0 -65.24 -37.78 88.31 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.044 0.387 . . . . 61.11 112.044 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -60.46 -48.2 82.78 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.647 0.261 . . . . 70.15 111.123 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.83 -39.29 95.03 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 120.977 -0.63 . . . . 55.23 113.017 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -54.26 49.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.495 -0.415 . . . . 52.24 111.384 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.71 -33.47 66.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.428 -0.351 . . . . 71.21 111.906 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.44 78.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.025 0.44 . . . . 74.32 111.294 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -89.94 -9.4 48.96 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.825 0.345 . . . . 72.12 111.492 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.87 16.56 67.51 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 121.561 -0.352 . . . . 42.12 113.41 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.53 156.75 17.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.81 0.338 . . . . 63.41 111.651 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -86.14 115.37 23.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.998 0.428 . . . . 72.05 111.584 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.7 p -66.07 -29.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.082 0.468 . . . . 61.31 111.88 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.02 -34.55 78.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.916 0.388 . . . . 71.42 111.538 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 33.0 t70 -71.47 -34.19 69.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.065 0.46 . . . . 73.32 110.391 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 54' ' ' VAL . 54.1 mt -64.72 -42.44 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-O 121.052 0.454 . . . . 74.23 110.608 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 61' ' ' LEU . 90.7 mt -56.37 -35.19 67.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.203 -0.453 . . . . 63.02 111.149 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 51.4 ttp85 -51.75 -54.89 23.56 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.237 -0.438 . . . . 75.24 111.117 173.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 13.6 t0 -66.16 -46.3 77.92 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 120.933 0.397 . . . . 53.1 110.867 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 58' ' ' LEU . 89.5 mt -53.98 -49.58 68.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.712 0.634 . . . . 62.33 112.712 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.71 -29.69 62.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.814 0.34 . . . . 74.42 111.063 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.66 -28.3 69.83 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.679 0.276 . . . . 62.23 111.394 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 91.9 mt -55.48 -37.87 68.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.81 0.338 . . . . 63.24 111.784 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.484 0 CA-C-N 116.385 -0.37 . . . . 72.33 111.681 -179.061 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.757 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 109.748 -0.464 . . . . 63.14 109.748 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.526 ' O ' ' HG2' ' A' ' 9' ' ' MET . 10.2 t -118.74 171.24 8.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.179 0.514 . . . . 54.32 111.933 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.63 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.9 ptpt -69.84 -17.12 63.37 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.16 -0.473 . . . . 75.33 112.157 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.42 -35.18 27.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.346 0.499 . . . . 74.22 112.346 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.757 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -70.28 154.93 41.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.052 0.453 . . . . 74.05 111.674 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 32.4 p -83.8 160.65 21.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.119 -0.491 . . . . 52.55 111.948 -177.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 85.2 m-85 -57.17 -38.76 74.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.297 -0.41 . . . . 71.02 111.052 174.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.04 71.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.648 0.261 . . . . 34.34 111.359 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.5 mt-30 -56.05 -47.72 77.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.9 0.381 . . . . 63.12 111.081 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -56.71 -50.12 73.12 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.212 -0.449 . . . . 63.5 111.668 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 88.3 mt -59.46 -42.36 91.82 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.896 0.379 . . . . 75.33 111.645 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.95 -28.86 67.01 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.71 0.291 . . . . 63.31 111.738 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -74.61 -40.44 61.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.899 0.38 . . . . 75.13 111.583 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -151.51 117.07 3.16 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 111.799 0.296 . . . . 72.01 111.799 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.2 -26.52 42.83 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.691 2.26 . . . . 72.04 112.967 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -26.34 67.35 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 121.416 -0.421 . . . . 65.41 113.317 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.8 t -55.12 -38.32 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.69 -0.3 . . . . 74.13 111.204 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.84 -47.71 73.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.909 0.385 . . . . 51.13 111.153 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.94 99.68 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 121.184 -0.531 . . . . 52.21 112.918 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.23 -47.9 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.769 0.319 . . . . 74.35 111.17 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 92.5 mt -59.04 -43.45 91.65 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.863 0.363 . . . . 75.01 111.096 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.68 -36.2 80.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.894 0.378 . . . . 71.33 111.043 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -66.66 -38.79 87.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.254 0.549 . . . . 65.22 110.888 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 39.2 m-85 -95.62 25.02 4.79 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.867 -0.606 . . . . 74.21 112.079 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 21.0 t-20 71.34 -15.92 0.39 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.253 0.834 . . . . 74.41 113.253 174.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.7 mt -72.06 2.5 5.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.745 0.646 . . . . 62.12 112.745 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.35 -10.38 21.96 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.055 -0.593 . . . . 42.12 113.643 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 36' ' ' MET . 62.2 m -89.09 12.83 14.57 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.404 -0.468 . . . . 51.34 112.219 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.9 pt -53.81 -30.11 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.526 . . . . 64.52 112.419 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.38 88.5 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.808 -0.711 . . . . 75.44 112.452 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -70.61 -38.01 73.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.042 0.386 . . . . 71.24 112.042 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.407 ' SD ' ' NE2' ' A' ' 50' ' ' HIS . 27.7 ptm -84.84 -3.95 58.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 111.786 0.291 . . . . 70.41 111.786 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.29 52.3 50.46 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.333 -0.461 . . . . 60.55 113.566 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.13 21.61 17.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.829 0.678 . . . . 75.51 112.829 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -61.34 -45.18 95.5 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.911 -0.493 . . . . 72.52 111.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -84.28 -5.79 59.31 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.089 0.471 . . . . 63.43 111.402 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -87.21 145.94 26.19 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.956 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.622 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 80.3 p -75.38 150.85 38.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.027 0.441 . . . . 65.24 111.887 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.25 -39.79 31.74 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.882 -0.599 . . . . 52.3 112.061 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.63 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -65.1 -48.78 72.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.241 0.46 . . . . 74.41 112.241 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.537 ' HG3' ' OG ' ' A' ' 42' ' ' SER . 72.9 mt-30 -58.1 -50.19 74.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.779 0.323 . . . . 74.3 111.144 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.33 97.31 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.089 -0.577 . . . . 73.21 112.951 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -57.98 10.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.887 0.375 . . . . 71.35 111.46 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -61.59 -34.94 76.48 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.735 0.272 . . . . 64.41 111.735 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.11 -34.59 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.944 0.402 . . . . 71.4 111.497 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.407 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 25.8 m-70 -97.2 8.14 45.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 111.776 0.287 . . . . 72.42 111.776 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.84 42.67 60.46 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.54 -0.3 . . . . 71.41 113.83 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.2 mt -120.01 159.56 24.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.007 0.432 . . . . 62.42 111.832 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -89.63 112.6 23.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.297 -0.41 . . . . 64.11 110.7 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.5 p -59.2 -36.88 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 112.159 0.429 . . . . 71.44 112.159 -177.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.22 -38.63 89.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.828 0.346 . . . . 74.31 111.846 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 14.8 t70 -65.17 -35.04 79.83 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.146 0.498 . . . . 71.21 110.715 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -71.03 -51.56 34.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.8 -0.637 . . . . 74.44 111.078 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 83.9 mt -52.71 -36.01 56.68 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.199 0.524 . . . . 74.21 110.972 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 16.7 ttp180 -51.24 -53.09 38.6 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.496 -0.774 . . . . 72.23 111.723 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.95 -38.3 69.82 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.042 0.449 . . . . 74.44 110.865 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.03 -51.27 70.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.105 -0.498 . . . . 74.33 111.989 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 59.0 m-80 -69.55 -30.83 68.72 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.835 0.35 . . . . 75.24 111.101 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.07 -31.97 67.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.677 -0.238 . . . . 44.51 111.472 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.52 -34.86 69.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.172 0.51 . . . . 73.24 111.329 175.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.432 0 CA-C-N 116.16 -0.473 . . . . 55.14 111.882 -179.233 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 110.228 -0.286 . . . . 73.43 110.228 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.3 t -122.08 159.76 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.943 0.402 . . . . 65.33 111.937 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.6 ptpt -60.05 -26.81 66.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.027 0.442 . . . . 64.33 111.389 177.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.8 -43.76 97.96 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.48 -0.782 . . . . 53.13 112.561 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.5 ptm -73.47 154.2 40.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.286 0.565 . . . . 62.3 111.962 -176.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 63.9 p -83.47 163.97 20.16 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.019 -0.537 . . . . 53.21 112.233 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -55.46 -41.86 73.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.082 -0.508 . . . . 74.21 111.183 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -57.68 -51.23 70.4 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.388 -0.369 . . . . 64.5 111.642 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.3 mt-30 -59.19 -43.77 92.21 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.883 0.373 . . . . 71.55 111.436 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.8 -50.62 72.65 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.926 0.393 . . . . 50.43 111.252 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.46 -37.31 77.85 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.083 -0.508 . . . . 74.01 111.911 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.4 mm-40 -77.2 -24.45 51.35 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.09 0.404 . . . . 75.23 112.09 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.2 m -78.23 -36.77 46.69 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.097 0.475 . . . . 72.33 110.685 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -152.61 109.12 2.74 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.964 175.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.5 -26.28 28.08 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.488 2.125 . . . . 75.51 112.96 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.86 -25.08 61.09 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.479 -0.391 . . . . 70.02 113.12 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.88 -31.77 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.789 0.328 . . . . 72.12 111.192 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.73 -50.76 69.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.767 0.318 . . . . 54.33 111.385 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.79 -35.32 91.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.085 -0.578 . . . . 62.21 112.868 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.82 -52.57 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.831 0.348 . . . . 73.44 111.114 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -55.59 -43.29 75.87 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.982 0.42 . . . . 61.44 110.89 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -59.44 -42.04 91.02 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.342 -0.39 . . . . 74.33 111.082 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.38 -36.05 77.16 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.266 -0.425 . . . . 70.42 111.354 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 73.0 m-85 -99.16 26.12 6.19 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.202 0.445 . . . . 75.42 112.202 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 63.48 12.72 6.6 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.616 0.599 . . . . 75.21 112.616 171.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.5 mt -88.0 2.71 51.1 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.762 -0.587 . . . . 73.34 111.852 177.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.39 -25.6 49.34 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 121.288 -0.482 . . . . 72.41 113.861 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.1 m -73.86 0.81 12.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.832 0.679 . . . . 74.04 112.832 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.02 -31.14 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 120.803 0.335 . . . . 73.15 111.7 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -50.73 56.57 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.965 -0.636 . . . . 72.41 112.348 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.73 -32.42 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.245 0.461 . . . . 74.31 112.245 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.8 ptm -94.75 1.09 55.44 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 111.914 0.339 . . . . 72.52 111.914 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.63 21.71 71.11 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.375 -0.441 . . . . 61.33 114.084 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 18.0 0.18 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.897 0.703 . . . . 75.05 112.897 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.9 -32.46 70.76 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.905 0.383 . . . . 72.22 111.534 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.48 8.39 38.95 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.259 -0.428 . . . . 73.14 111.832 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 45' ' ' GLN . 32.4 tt0 -104.46 143.24 33.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.957 0.408 . . . . 74.23 111.237 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 48.0 m -65.97 150.56 48.45 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.318 -0.401 . . . . 72.52 111.993 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -50.87 -49.01 60.09 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.051 0.76 . . . . 73.42 113.051 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 35.8 tt0 -61.34 -39.79 91.87 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.915 0.339 . . . . 41.4 111.915 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 42' ' ' SER . 49.0 mt-30 -62.93 -52.99 60.92 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.532 0.206 . . . . 60.33 111.412 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.12 95.07 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.202 -0.523 . . . . 43.24 112.771 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.27 78.51 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.03 0.443 . . . . 74.43 110.725 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.489 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -60.99 -36.52 79.67 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.209 -0.45 . . . . 72.12 111.264 177.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.99 67.22 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.438 -0.346 . . . . 64.41 111.562 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -100.4 6.33 44.45 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.94 0.348 . . . . 70.2 111.94 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.46 41.83 90.02 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.583 -0.341 . . . . 72.4 113.498 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -122.93 148.21 45.73 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.781 0.324 . . . . 72.0 111.287 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -80.93 115.24 20.31 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.195 0.521 . . . . 74.15 111.066 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' HG ' ' A' ' 58' ' ' LEU . 13.9 p -57.45 -28.72 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.912 -0.585 . . . . 60.45 112.237 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.5 -41.69 90.46 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.306 0.484 . . . . 73.23 112.306 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.31 -32.28 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.102 0.477 . . . . 73.15 110.682 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.434 HD13 HD11 ' A' ' 30' ' ' LEU . 57.2 mt -68.7 -48.89 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.067 -0.515 . . . . 73.35 110.591 175.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HG ' HG22 ' A' ' 54' ' ' VAL . 91.1 mt -55.22 -39.78 70.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.356 -0.383 . . . . 71.43 111.358 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.405 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 34.9 ttp85 -52.0 -53.32 43.08 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.125 0.488 . . . . 52.4 111.107 174.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -32.23 70.68 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.913 -0.585 . . . . 71.3 110.881 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 89.1 mt -69.07 -52.15 31.47 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.933 0.346 . . . . 53.44 111.933 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -64.75 -24.6 67.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.662 0.268 . . . . 75.11 111.398 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.51 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.607 0.241 . . . . 73.33 111.394 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.4 -17.86 63.03 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.857 0.36 . . . . 74.4 111.407 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 120.873 0.368 . . . . 62.54 111.504 178.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.574 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.4 m-85 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 120.918 0.389 . . . . 73.32 110.727 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.2 t -121.03 170.04 9.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.265 0.555 . . . . 64.51 112.189 -176.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.803 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.9 ptpt -73.32 -17.61 61.28 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.036 -0.529 . . . . 65.11 111.876 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -81.56 -36.52 28.99 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.593 0.59 . . . . 72.43 112.593 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.574 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.6 ptm -67.79 152.1 46.13 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.098 0.475 . . . . 71.34 112.111 -176.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.2 p -86.23 162.05 18.5 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.278 0.473 . . . . 63.45 112.278 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -57.6 -43.1 84.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.231 -0.441 . . . . 72.31 111.717 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.9 83.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.835 0.35 . . . . 74.2 111.313 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.62 -51.0 71.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.853 0.359 . . . . 73.53 110.956 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -56.19 -46.99 79.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.404 -0.362 . . . . 73.13 111.901 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 HD12 ' A' ' 25' ' ' LEU . 93.4 mt -57.53 -34.63 69.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.277 0.473 . . . . 71.5 112.277 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -94.08 -4.72 48.87 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.085 0.402 . . . . 63.03 112.085 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -79.59 -52.8 7.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.887 0.375 . . . . 73.4 110.731 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.29 134.94 16.84 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 122.618 0.367 . . . . 74.31 111.096 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -59.87 -34.87 95.29 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.804 2.336 . . . . 73.11 113.313 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.15 -19.13 65.76 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.184 -0.531 . . . . 44.41 113.822 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 14' ' ' ALA . 98.7 t -58.25 -41.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.964 0.357 . . . . 70.45 111.964 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -51.8 -55.77 17.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.863 0.363 . . . . 74.05 111.823 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -39.32 94.53 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.352 -0.452 . . . . 73.32 113.03 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.35 -46.84 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.961 0.41 . . . . 72.24 111.127 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 HD21 ' A' ' 15' ' ' LEU . 82.7 mt -57.98 -46.64 84.84 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.87 0.367 . . . . 71.23 110.763 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 59.6 mtp180 -62.11 -32.05 72.57 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.929 0.395 . . . . 72.43 111.171 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -62.11 -31.17 71.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.904 0.383 . . . . 64.21 111.3 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.471 ' HB3' HD13 ' A' ' 52' ' ' LEU . 77.2 m-85 -96.32 15.48 21.05 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 111.774 0.287 . . . . 71.41 111.774 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.1 t30 62.62 35.81 14.05 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.521 0.677 . . . . 73.31 111.327 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 33' ' ' ILE . 89.8 mt -102.7 11.88 37.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.053 -0.521 . . . . 71.3 111.555 176.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.47 -23.13 68.31 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.186 -0.53 . . . . 54.24 113.576 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 36' ' ' MET . 48.8 t -74.79 -0.24 17.62 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.363 0.505 . . . . 55.13 112.363 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -52.32 -27.12 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.497 0.555 . . . . 72.13 112.497 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.16 -50.08 29.96 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.057 -0.592 . . . . 74.42 112.613 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.99 -42.95 79.98 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.991 0.425 . . . . 74.03 112.055 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.7 ptm -79.3 0.65 27.98 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.922 0.341 . . . . 64.11 111.922 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.81 28.35 69.98 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 114.068 0.387 . . . . 60.11 114.068 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.73 17.47 0.7 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.315 0.487 . . . . 75.13 112.315 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -65.29 -27.89 68.94 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.796 0.332 . . . . 74.4 111.571 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -91.73 -7.64 49.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.878 0.371 . . . . 72.42 111.564 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -93.13 148.68 21.81 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.993 0.425 . . . . 75.3 111.626 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.619 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 86.9 p -76.74 155.01 33.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.924 0.392 . . . . 64.23 111.8 -177.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.08 -40.81 67.55 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.276 -0.42 . . . . 41.21 111.827 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.9 tt0 -65.27 -49.54 69.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.934 0.346 . . . . 53.45 111.934 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -60.69 -45.3 94.69 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.903 0.383 . . . . 73.53 111.058 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.47 92.95 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.116 -0.564 . . . . 34.21 112.588 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.86 52.72 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.755 0.312 . . . . 74.14 111.177 176.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -55.79 -41.66 74.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.486 -0.324 . . . . 75.41 111.258 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.44 99.1 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.021 0.438 . . . . 61.21 111.877 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -90.63 7.63 38.33 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.367 0.506 . . . . 55.2 112.367 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.65 51.02 57.4 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.38 -0.438 . . . . 64.02 113.634 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 28' ' ' TYR . 83.6 mt -126.97 171.52 11.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.1 0.476 . . . . 72.03 111.708 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -100.98 110.46 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.071 -0.513 . . . . 72.53 110.218 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.7 p -57.26 -36.22 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 111.839 0.311 . . . . 73.44 111.839 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.61 -37.45 87.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.014 0.435 . . . . 65.51 111.482 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.1 t70 -74.95 -38.59 61.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.109 0.48 . . . . 73.25 110.798 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.24 -50.23 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.975 0.416 . . . . 72.34 110.503 175.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 88.0 mt -58.24 -34.0 69.97 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.323 -0.399 . . . . 62.43 111.341 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 18.7 ttp180 -54.97 -49.85 70.4 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.06 0.457 . . . . 75.02 111.001 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.39 -40.29 77.46 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.178 -0.464 . . . . 54.25 111.112 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.76 -51.88 65.39 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.178 -0.465 . . . . 75.22 112.164 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -67.16 -25.65 66.26 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.096 -0.377 . . . . 55.43 111.336 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.77 -26.31 65.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.712 0.292 . . . . 43.23 111.232 174.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.07 -26.41 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.094 0.473 . . . . 73.51 111.508 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.539 0 CA-C-N 116.275 -0.42 . . . . 34.12 111.766 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.745 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 93.7 m-85 . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 120.827 0.346 . . . . 73.13 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.582 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -122.6 166.78 14.3 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.135 -0.484 . . . . 52.54 111.702 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.678 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -63.48 -28.92 70.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.816 0.341 . . . . 64.44 111.41 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.77 -35.96 72.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.931 -0.577 . . . . 74.42 112.49 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.745 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -71.71 148.47 46.38 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.244 0.545 . . . . 61.51 111.498 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.8 p -84.56 162.13 19.93 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.395 0.517 . . . . 64.43 112.395 -176.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -53.73 -42.29 67.95 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.296 -0.411 . . . . 74.24 111.422 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -57.29 -48.89 77.76 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.389 -0.369 . . . . 71.24 111.325 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.26 -45.02 88.59 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.819 0.342 . . . . 73.03 111.295 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.02 -48.82 77.58 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.386 -0.37 . . . . 75.41 111.601 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.86 85.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.021 0.439 . . . . 75.33 111.528 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 28.2 mm-40 -73.39 -21.22 60.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.931 0.396 . . . . 74.54 111.724 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -80.71 -52.71 7.24 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.805 0.336 . . . . 75.52 111.365 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -137.3 120.87 11.81 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 122.337 0.255 . . . . 73.24 111.256 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.92 -34.42 91.78 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.545 2.163 . . . . 75.15 113.125 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -20.32 50.38 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.508 -0.377 . . . . 70.5 113.963 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG11 ' HB1' ' A' ' 14' ' ' ALA . 85.9 t -60.1 -32.76 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 122.595 -0.356 . . . . 70.13 111.623 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -51.03 67.7 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.019 0.438 . . . . 61.33 111.303 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.16 97.58 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 116.185 -0.461 . . . . 73.53 112.683 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.37 -55.37 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.968 0.413 . . . . 62.3 111.173 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.29 -50.93 69.99 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.286 -0.416 . . . . 72.42 111.271 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.66 -32.32 72.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.801 0.296 . . . . 74.3 111.801 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -62.96 -37.96 89.17 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.218 0.533 . . . . 72.04 111.184 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HB3' HD13 ' A' ' 52' ' ' LEU . 28.1 m-85 -89.84 11.56 19.85 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.16 -0.473 . . . . 72.13 112.041 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 63.86 45.97 4.14 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.636 0.731 . . . . 73.13 111.009 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -112.38 13.27 20.26 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.879 -0.601 . . . . 72.15 110.601 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.01 -26.5 68.68 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.251 -0.5 . . . . 73.21 113.615 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.22 -9.96 13.54 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.507 0.558 . . . . 71.11 112.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.0 pt -48.13 -37.58 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 111.988 0.366 . . . . 60.25 111.988 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.13 -41.6 86.35 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.967 -0.635 . . . . 64.41 112.757 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -65.84 -52.06 53.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.761 0.315 . . . . 74.45 111.763 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -76.1 -10.4 59.39 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.76 58.24 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.137 -0.554 . . . . 73.11 113.186 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.2 31.71 0.64 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.073 0.463 . . . . 33.3 111.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 32.5 mm-40 -62.97 -34.51 77.67 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 122.193 -0.317 . . . . 73.21 111.769 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -89.75 13.45 14.31 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.966 0.412 . . . . 72.13 111.868 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -91.05 134.12 34.76 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.651 0.262 . . . . 54.4 110.36 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 83.6 p -73.6 154.47 39.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.048 0.452 . . . . 55.45 111.425 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt -54.53 -40.39 68.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.027 -0.533 . . . . 61.04 112.413 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.7 tt0 -66.66 -45.63 78.34 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.81 0.3 . . . . 75.54 111.81 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -55.48 -51.36 67.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.949 0.404 . . . . 74.51 111.268 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.77 -37.57 94.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 120.929 -0.653 . . . . 34.45 113.164 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.57 -60.09 3.92 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.504 -0.409 . . . . 63.05 111.435 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -59.67 -39.49 84.64 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.944 0.402 . . . . 65.5 111.587 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -30.32 68.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.228 0.455 . . . . 51.45 112.228 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -102.2 4.76 39.72 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.045 0.387 . . . . 72.1 112.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.71 32.87 39.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.3 -0.476 . . . . 75.33 113.765 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 28' ' ' TYR . 37.6 mt -117.98 163.99 15.76 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.666 0.387 . . . . 75.41 111.629 -176.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -98.75 121.02 40.17 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.141 -0.318 . . . . 61.4 110.141 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.5 p -53.78 -39.43 39.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 111.964 0.357 . . . . 53.14 111.964 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.74 -43.88 97.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.934 0.397 . . . . 64.43 111.457 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 31.7 t70 -62.36 -32.86 73.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.082 0.468 . . . . 65.32 111.103 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.3 mt -74.57 -51.21 23.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.112 -0.495 . . . . 62.21 110.938 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.1 mt -54.3 -31.23 53.46 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.988 0.423 . . . . 71.05 111.153 177.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 4.6 ttp180 -50.77 -56.62 11.21 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.744 -0.662 . . . . 74.52 111.525 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.419 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 9.7 t70 -72.86 -40.18 65.88 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.302 -0.408 . . . . 71.34 111.038 -178.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -56.92 -51.62 68.4 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.868 0.322 . . . . 65.24 111.868 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -68.32 -32.37 72.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.692 0.282 . . . . 61.35 110.901 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -24.75 66.03 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.628 -0.26 . . . . 70.43 111.563 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 93.7 mt -69.36 -36.09 76.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.998 0.428 . . . . 73.2 111.454 175.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.065 0.459 . . . . 75.24 111.762 -179.029 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.601 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 121.069 0.461 . . . . 53.13 111.552 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -98.11 -179.32 4.35 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.82 0.343 . . . . 75.43 111.306 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -117.01 131.44 56.95 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.748 0.309 . . . . 71.03 111.247 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -62.96 -22.34 66.73 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.821 0.343 . . . . 75.21 111.528 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.528 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 97.7 m-85 -118.91 114.42 22.57 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.074 -0.512 . . . . 63.21 110.491 172.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.3 t -121.58 162.17 21.09 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.121 0.486 . . . . 74.03 111.831 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.734 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.5 ptpt -68.56 -20.86 64.56 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.335 -0.393 . . . . 74.01 111.408 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.68 -31.85 52.73 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.841 -0.618 . . . . 72.21 112.199 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -75.52 159.04 31.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.934 0.397 . . . . 74.21 111.583 -176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 62.0 p -86.09 159.55 19.52 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.373 0.509 . . . . 60.51 112.373 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.17 -43.08 87.29 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.291 -0.413 . . . . 75.24 111.534 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -57.37 -41.21 79.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.917 0.389 . . . . 70.34 111.735 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.93 -42.84 76.24 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.681 -0.236 . . . . 73.0 111.264 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.02 78.68 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.962 0.411 . . . . 72.04 111.592 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 HD12 ' A' ' 25' ' ' LEU . 97.0 mt -56.75 -41.43 77.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.875 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -79.46 -8.28 59.01 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.122 0.416 . . . . 74.42 112.122 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.409 HG22 ' ND1' ' A' ' 18' ' ' HIS . 96.3 m -86.46 -41.25 14.56 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.024 0.44 . . . . 72.44 110.974 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' ND1' HG22 ' A' ' 17' ' ' THR . 57.3 m80 -149.03 115.81 3.74 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 122.518 0.327 . . . . 73.21 110.784 174.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.25 -32.21 59.55 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.485 2.123 . . . . 64.24 113.089 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.31 -21.34 56.75 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 121.382 -0.437 . . . . 71.35 113.558 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.8 t -58.69 -36.08 58.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.683 0.278 . . . . 64.42 111.272 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -56.87 -46.23 81.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.746 0.307 . . . . 74.52 111.269 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.24 -45.36 96.66 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 121.106 -0.568 . . . . 72.2 112.764 177.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG21 HD11 ' A' ' 64' ' ' LEU . 61.9 t -59.81 -51.17 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.857 0.36 . . . . 65.42 111.098 177.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD12 HD21 ' A' ' 15' ' ' LEU . 85.6 mt -58.03 -49.93 75.18 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 111.745 0.276 . . . . 73.14 111.745 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 73.3 mtp180 -60.54 -37.62 81.83 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.804 0.335 . . . . 72.04 111.294 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 t -65.24 -31.1 72.08 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.154 0.502 . . . . 64.51 110.971 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.31 20.85 6.6 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.229 -0.441 . . . . 74.51 112.134 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 68.55 5.0 4.58 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.28 0.562 . . . . 64.12 111.931 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' ILE . 96.9 mt -90.56 14.59 12.77 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.897 -0.502 . . . . 70.13 111.802 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.21 -27.67 73.5 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.872 -0.68 . . . . 73.35 112.834 178.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 36' ' ' MET . 63.2 m -65.18 -5.96 8.12 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.826 0.676 . . . . 72.02 112.826 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 30' ' ' LEU . 27.8 pt -54.18 -30.98 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 112.632 0.604 . . . . 44.31 112.632 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.98 -37.86 64.4 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.816 -0.707 . . . . 72.44 112.779 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.86 -52.57 9.24 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.817 0.341 . . . . 52.44 111.705 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.0 ptm -69.22 -2.48 10.61 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.345 0.498 . . . . 70.22 112.345 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.34 27.81 69.11 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.184 -0.531 . . . . 43.15 113.567 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.2 9.51 6.81 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 122.478 -0.425 . . . . 60.21 111.989 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 29.6 mm-40 -57.82 -41.96 83.29 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.167 0.508 . . . . 63.04 111.071 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -87.65 13.11 11.03 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.999 -0.546 . . . . 74.13 111.572 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -108.87 146.34 33.87 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.541 -0.299 . . . . 62.01 111.336 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 61.4 m -70.16 150.22 46.73 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.867 0.365 . . . . 70.13 111.958 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 6' ' ' THR . 85.3 mt -53.28 -44.77 68.51 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.53 0.567 . . . . 74.01 112.53 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -64.81 -35.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 111.86 0.319 . . . . 73.53 111.86 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.19 -49.73 70.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.862 0.363 . . . . 75.43 111.191 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.55 -34.81 90.13 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.002 -0.618 . . . . 71.41 112.903 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -59.28 5.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.725 0.298 . . . . 72.41 111.601 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -60.05 -34.43 73.4 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.705 0.288 . . . . 63.01 111.529 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.88 70.44 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.992 0.425 . . . . 75.3 111.657 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -100.87 11.18 40.09 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 120.957 0.408 . . . . 62.0 111.381 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 36.99 85.98 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.244 0.458 . . . . 61.15 114.244 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -120.48 161.48 21.18 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.994 0.426 . . . . 73.02 111.311 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -98.5 123.75 42.83 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.955 0.407 . . . . 60.51 110.078 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.439 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 p -61.08 -25.83 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 116.32 -0.4 . . . . 72.23 111.927 -176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -56.11 -51.84 66.46 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.905 0.383 . . . . 73.43 111.729 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.18 -35.17 79.41 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.126 0.489 . . . . 72.35 111.124 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.6 mt -65.18 -52.44 52.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 116.087 -0.506 . . . . 75.1 110.893 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.7 mt -57.54 -36.66 71.9 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.243 -0.435 . . . . 73.43 111.095 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -52.03 -56.73 12.51 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.075 -0.511 . . . . 74.21 111.53 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -36.42 66.3 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.653 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.92 -48.16 80.14 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.999 0.428 . . . . 73.1 111.652 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -61.84 -29.45 70.18 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.012 0.434 . . . . 53.15 111.335 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.57 70.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.354 -0.385 . . . . 72.4 111.153 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.406 HD11 HG21 ' A' ' 24' ' ' VAL . 83.8 mt -67.59 -25.63 65.87 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.371 -0.377 . . . . 70.33 111.052 174.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.71 -39.66 30.71 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.974 0.416 . . . . 64.02 111.421 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.77 -47.78 57.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.287 -0.415 . . . . 73.02 111.577 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 67.72 0.59 2.32 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.493 0.923 . . . . 62.55 113.493 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -78.31 -28.72 47.5 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 122.11 -0.369 . . . . 65.04 111.594 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -73.81 120.87 19.99 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.857 0.36 . . . . 55.51 111.572 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -100.21 126.44 46.49 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 122.185 -0.322 . . . . 72.11 110.822 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -74.79 -10.74 59.8 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.879 0.325 . . . . 72.32 111.879 -177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -138.43 130.59 28.55 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 120.905 0.383 . . . . 74.41 111.263 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.848 -0.596 . . . . 73.1 111.715 179.498 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.663 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 120.677 0.275 . . . . 71.04 111.278 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m -63.91 116.26 5.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.645 -0.252 . . . . 72.22 111.248 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -66.32 119.98 12.49 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.801 0.334 . . . . 71.33 111.749 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -61.73 -51.81 66.85 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.951 0.405 . . . . 61.42 110.607 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.654 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 92.0 m-85 -77.5 91.7 3.95 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.028 -0.533 . . . . 64.34 110.253 175.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.638 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.0 t -123.32 156.04 36.08 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.305 0.574 . . . . 64.12 111.987 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.813 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -54.4 -26.09 28.46 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.516 0.561 . . . . 72.3 112.516 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.21 -15.08 57.8 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.607 0.595 . . . . 73.1 112.607 -174.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.654 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 23.2 ptm -88.66 158.4 18.24 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.973 -0.454 . . . . 71.24 110.949 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 38.4 p -85.38 158.37 20.26 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.0 0.429 . . . . 71.14 112.068 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -55.23 -44.4 75.43 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.595 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -54.98 -48.91 72.65 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.2 -0.455 . . . . 63.45 111.675 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.467 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.6 mt-30 -56.4 -48.36 77.07 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.832 0.348 . . . . 64.05 111.46 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -58.23 -44.25 88.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.366 -0.379 . . . . 53.4 111.306 178.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD21 HD12 ' A' ' 25' ' ' LEU . 97.4 mt -63.02 -28.19 69.93 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.157 -0.474 . . . . 74.04 112.151 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 21.6 mm-40 -82.75 -31.39 28.4 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.956 0.408 . . . . 73.42 111.107 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.1 m -67.28 -58.14 5.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.462 -0.335 . . . . 70.11 111.504 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 6.6 m-70 -138.3 131.68 16.48 Favored Pre-proline 0 N--CA 1.471 0.589 0 O-C-N 122.331 -0.23 . . . . 72.21 111.427 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 37.4 Cg_exo -60.97 -33.13 92.8 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.864 2.376 . . . . 72.33 112.959 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.56 -24.64 53.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.237 -0.438 . . . . 54.3 113.438 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.539 HG11 ' HB1' ' A' ' 14' ' ' ALA . 84.6 t -56.07 -37.67 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.566 0.222 . . . . 54.0 111.419 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.24 76.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.996 0.426 . . . . 62.13 111.4 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -44.12 91.06 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.218 -0.515 . . . . 61.32 112.735 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 HD11 ' A' ' 64' ' ' LEU . 83.9 t -59.73 -49.19 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.916 0.388 . . . . 65.23 111.417 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 HD13 ' A' ' 33' ' ' ILE . 93.1 mt -55.25 -52.41 63.5 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.291 -0.413 . . . . 72.42 110.899 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -56.73 -39.57 74.16 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.837 0.351 . . . . 64.53 111.284 176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.9 t -61.62 -36.58 81.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.199 -0.455 . . . . 72.31 112.012 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -88.24 5.15 43.05 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.083 0.401 . . . . 70.53 112.083 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 69.74 53.54 0.39 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.827 0.822 . . . . 74.44 110.625 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 33' ' ' ILE . 99.6 mt -126.39 15.32 7.72 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.472 -0.785 . . . . 70.45 110.9 175.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.55 -20.29 71.72 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 120.985 -0.626 . . . . 71.13 112.936 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.72 ' SG ' ' HB2' ' A' ' 35' ' ' CYS . 42.4 t -81.49 8.21 10.06 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.011 0.374 . . . . 74.11 112.011 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 30' ' ' LEU . 10.3 pt -54.46 -31.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 112.575 0.583 . . . . 54.53 112.575 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -39.7 69.25 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.751 -0.738 . . . . 74.24 112.398 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.72 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 67.2 m -68.91 -39.97 79.39 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.781 0.325 . . . . 70.5 111.721 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.6 ptm -86.41 3.79 42.23 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 111.913 0.338 . . . . 73.54 111.913 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.55 29.95 75.1 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 121.388 -0.434 . . . . 32.24 114.082 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.35 11.25 3.73 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.855 0.687 . . . . 44.53 112.855 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.413 HE22 HD12 ' A' ' 33' ' ' ILE . 26.1 mm-40 -65.65 -30.49 71.2 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.273 0.558 . . . . 74.1 110.834 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -98.42 20.8 12.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.963 -0.562 . . . . 65.2 111.081 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -123.72 151.05 43.61 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.562 -0.29 . . . . 72.34 111.047 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.509 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 82.5 p -76.6 155.23 33.7 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.085 0.469 . . . . 63.24 111.909 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.78 -42.32 64.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.757 -0.656 . . . . 52.3 112.113 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.9 tt0 -64.68 -48.07 76.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 111.929 0.344 . . . . 73.42 111.929 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.63 -46.47 88.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.744 0.307 . . . . 65.52 111.485 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.42 -45.41 95.97 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.118 -0.563 . . . . 74.3 112.894 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.56 -52.15 66.88 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.003 0.43 . . . . 64.44 111.159 176.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HG2' ' A' ' 44' ' ' GLU . 92.2 m-20 -55.78 -33.04 64.0 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.013 -0.54 . . . . 65.44 112.03 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.79 -36.16 77.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.1 0.476 . . . . 75.42 111.391 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -90.83 5.52 48.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.305 -0.407 . . . . 72.12 111.458 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.15 35.21 90.16 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.621 -0.323 . . . . 74.43 113.697 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -102.63 160.88 14.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.997 0.427 . . . . 75.2 111.992 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -84.25 104.61 14.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.182 173.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.1 p -58.4 -34.51 50.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 N-CA-C 111.886 0.328 . . . . 54.51 111.886 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -60.63 -46.54 89.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.163 0.506 . . . . 61.45 110.855 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 t70 -68.62 -33.09 73.42 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.143 -0.48 . . . . 63.43 111.147 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 53' ' ' ASN . 59.2 mt -64.23 -53.15 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.902 0.382 . . . . 64.25 111.127 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 79.2 mt -55.13 -36.95 66.31 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.114 0.483 . . . . 61.41 110.938 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.542 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 1.5 ttp180 -51.44 -56.02 15.56 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.605 -0.725 . . . . 74.24 111.421 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -72.1 -32.82 67.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.837 0.351 . . . . 70.33 111.47 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.39 -49.48 76.73 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.874 0.368 . . . . 70.44 111.75 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -71.91 -26.7 62.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.973 0.416 . . . . 73.23 111.166 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.37 -23.92 66.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.792 0.33 . . . . 73.22 111.28 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 24' ' ' VAL . 96.2 mt -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.802 0.334 . . . . 74.24 111.482 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.22 -36.45 22.75 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.89 0.376 . . . . 64.33 111.52 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.42 -52.68 20.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.706 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 69' ' ' HIS . 44.7 mt-10 59.06 22.93 11.06 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.406 0.891 . . . . 74.11 113.406 177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -56.44 80.27 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.487 0.661 . . . . 70.51 112.101 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 67' ' ' GLU . 39.2 t-80 174.08 -34.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.402 -0.817 . . . . 65.44 110.409 -176.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -78.7 113.37 16.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.372 -0.377 . . . . 73.43 111.165 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -144.2 116.95 8.71 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.867 0.365 . . . . 71.01 111.015 175.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -90.85 136.89 32.77 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.715 0.293 . . . . 75.12 110.874 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.1 p80 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 119.192 -0.432 . . . . 71.24 111.795 179.785 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mmm . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.887 0.375 . . . . 72.01 110.694 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.7 m -158.2 144.59 17.41 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.536 -0.302 . . . . 75.41 111.109 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -62.86 113.93 3.34 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.56 0.219 . . . . 72.0 110.78 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.51 -44.5 85.08 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.192 0.52 . . . . 61.2 110.839 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 64.8 m-85 -92.83 92.59 7.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.793 -0.639 . . . . 72.02 109.335 173.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.8 t -95.3 162.17 13.79 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.352 0.596 . . . . 72.52 112.088 -175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.868 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.2 ptpt -69.59 -18.19 63.61 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.029 -0.532 . . . . 64.32 111.349 178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.17 -37.67 66.47 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.892 -0.594 . . . . 74.33 112.078 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.618 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.1 ptm -70.89 149.47 46.72 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.072 0.463 . . . . 75.34 111.489 -176.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 30.8 p -80.61 165.42 22.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.19 -0.459 . . . . 74.34 112.047 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -56.48 -42.78 78.84 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 61.31 111.043 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.19 88.05 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.323 -0.399 . . . . 71.12 111.46 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.523 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 26.2 mt-30 -58.67 -47.15 85.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.005 0.431 . . . . 71.24 110.872 177.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.03 74.94 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.35 -0.386 . . . . 71.51 111.654 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -56.45 -38.16 71.26 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.368 -0.378 . . . . 73.41 111.942 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -75.74 -28.6 58.58 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.86 0.319 . . . . 45.35 111.86 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.1 m -67.93 -43.07 79.99 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 111.744 0.276 . . . . 75.35 111.744 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -149.21 143.1 16.59 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-O 120.788 0.328 . . . . 64.12 111.803 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.14 -22.63 22.28 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.751 2.301 . . . . 64.44 113.543 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.61 -15.34 80.61 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.235 -0.507 . . . . 52.21 113.625 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.14 -38.34 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.988 0.366 . . . . 74.44 111.988 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.83 -47.33 64.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.911 0.386 . . . . 44.43 111.76 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.11 -42.17 99.58 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 121.148 -0.548 . . . . 63.03 112.819 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.2 t -62.05 -50.93 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 120.886 0.374 . . . . 75.52 111.476 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.0 mt -56.6 -47.01 80.52 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.878 0.37 . . . . 73.13 111.343 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -61.86 -43.28 99.17 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.855 0.36 . . . . 71.12 111.279 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 t -58.8 -33.65 70.59 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.14 0.495 . . . . 73.13 111.642 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' CD2' HG12 ' A' ' 57' ' ' ILE . 31.9 m-85 -96.85 25.29 5.39 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.156 -0.475 . . . . 63.01 112.024 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 70.47 -17.68 0.27 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.752 0.649 . . . . 65.03 112.752 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 33' ' ' ILE . 83.2 mt -62.7 -10.32 12.22 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.416 0.524 . . . . 74.41 112.416 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.06 -22.21 12.52 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.439 -0.41 . . . . 63.53 113.817 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 36' ' ' MET . 71.0 m -73.01 3.17 5.7 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.547 0.573 . . . . 32.13 112.547 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 30' ' ' LEU . 16.0 pt -54.96 -30.32 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.125 0.417 . . . . 74.3 112.125 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.13 -41.5 96.99 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 121.056 -0.592 . . . . 33.35 112.527 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 30.6 t -71.57 -55.13 8.39 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.95 0.352 . . . . 72.3 111.95 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.5 ptm -72.08 -12.06 61.04 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.938 0.718 . . . . 54.32 112.938 -174.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.32 48.54 14.18 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.112 -0.566 . . . . 42.21 112.819 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' A' ' 33' ' ' ILE . . . -111.11 64.69 0.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.429 0.633 . . . . 44.03 110.825 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -99.81 -40.23 7.82 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.345 0.593 . . . . 74.13 110.448 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -90.04 1.68 56.05 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.539 -0.755 . . . . 74.3 111.601 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -91.07 143.57 26.56 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.792 0.329 . . . . 70.14 111.414 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 35.6 m -71.91 151.21 43.5 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.876 0.369 . . . . 72.13 111.776 -178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 6' ' ' THR . 99.4 mt -53.27 -46.14 69.15 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.735 0.642 . . . . 74.24 112.735 -176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.868 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 45.5 tt0 -61.87 -46.71 88.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.12 0.486 . . . . 54.32 111.288 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -57.28 -42.03 80.86 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.91 -0.586 . . . . 53.05 111.226 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.79 88.92 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.067 -0.587 . . . . 53.32 112.931 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.89 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.767 0.317 . . . . 73.22 111.142 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -51.87 -46.28 64.41 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.92 0.391 . . . . 72.3 111.355 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.52 70.87 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.375 0.509 . . . . 72.42 112.375 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -99.24 2.65 45.83 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.003 0.372 . . . . 72.3 112.003 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.35 35.82 92.43 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.333 -0.461 . . . . 72.23 113.271 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.3 mt -105.5 157.77 17.14 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.049 0.452 . . . . 75.21 111.717 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.54 104.47 14.57 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.317 -0.401 . . . . 73.51 110.755 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 8.1 p -54.48 -38.23 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 N-CA-C 112.589 0.589 . . . . 72.14 112.589 -177.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.09 -41.38 96.55 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.856 0.36 . . . . 73.11 111.655 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 13.2 t70 -67.64 -34.69 77.47 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.054 0.455 . . . . 64.42 110.779 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.546 HD13 HD11 ' A' ' 30' ' ' LEU . 57.6 mt -65.92 -52.94 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.785 -0.643 . . . . 65.33 110.947 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 7' ' ' LYS . 80.2 mt -56.97 -34.13 67.77 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.138 -0.483 . . . . 72.33 111.26 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.8 ttp180 -51.83 -55.63 18.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.006 -0.543 . . . . 71.3 111.69 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.15 -34.28 68.38 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.006 0.431 . . . . 63.41 110.889 -176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.8 -49.02 78.02 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.294 -0.412 . . . . 74.22 111.889 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -69.55 -25.74 64.16 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 122.222 -0.298 . . . . 72.33 111.304 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -29.39 67.47 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.783 0.325 . . . . 71.43 110.955 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.09 -32.79 74.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.039 0.447 . . . . 70.41 111.351 175.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.22 -38.28 43.45 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.264 0.554 . . . . 34.13 111.294 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.5 mt -73.63 -36.65 65.47 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.23 -0.441 . . . . 75.42 111.431 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 66.25 -64.85 0.2 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.682 0.793 . . . . 74.12 113.053 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -45.54 89.28 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.492 1.293 . . . . 73.33 114.492 -174.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -100.48 122.7 43.63 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.498 -0.556 . . . . 72.03 109.498 166.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -72.19 130.18 40.24 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.848 0.356 . . . . 73.34 111.729 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -65.67 -46.21 79.99 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.938 0.399 . . . . 63.15 110.946 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -146.04 128.33 15.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.306 -0.406 . . . . 73.32 110.683 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.826 -0.606 . . . . 75.13 111.631 179.717 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.63 0.252 . . . . 64.42 111.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 t -60.28 174.14 0.58 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.49 0.922 . . . . 72.52 113.49 -174.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.588 HE21 ' ND2' ' A' ' 62' ' ' ASN . 18.3 mt-30 -94.81 164.95 12.72 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.699 -0.682 . . . . 72.34 112.246 -173.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -80.53 -53.36 6.64 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.876 0.369 . . . . 74.41 110.782 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.609 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 -82.8 112.48 19.67 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.883 0.373 . . . . 74.54 110.713 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.3 t -116.44 165.25 13.43 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.245 -0.434 . . . . 65.1 111.635 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -69.92 -17.75 63.34 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.85 0.357 . . . . 73.15 111.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.32 -26.48 42.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.637 0.606 . . . . 63.05 112.637 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.628 ' HG2' ' O ' ' A' ' 6' ' ' THR . 24.9 ptm -78.25 150.53 33.39 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.961 -0.462 . . . . 53.14 111.148 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.478 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.2 p -82.74 158.6 22.8 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.145 0.424 . . . . 52.42 112.145 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -53.6 -42.7 67.95 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.012 -0.54 . . . . 75.22 111.456 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.21 76.65 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.323 -0.399 . . . . 63.24 111.326 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.478 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.3 mt-30 -58.47 -47.56 83.65 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.435 -0.348 . . . . 75.31 111.059 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -54.52 -51.09 66.23 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.265 -0.425 . . . . 74.34 111.601 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.49 -39.65 84.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.51 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.15 0.41 40.99 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.242 0.46 . . . . 75.34 112.242 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.483 HG22 ' ND1' ' A' ' 18' ' ' HIS . 86.7 m -101.13 -40.83 7.0 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.068 0.461 . . . . 34.44 110.977 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' ND1' HG22 ' A' ' 17' ' ' THR . 66.0 m80 -149.3 112.71 3.51 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 122.612 0.365 . . . . 63.12 110.946 176.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -47.97 -34.51 22.93 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.964 2.443 . . . . 70.44 113.75 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.2 -25.43 47.46 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.402 -0.428 . . . . 72.21 113.739 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 14' ' ' ALA . 87.5 t -55.01 -32.91 27.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 120.813 0.339 . . . . 62.44 111.664 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.34 -45.84 72.78 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.969 0.414 . . . . 72.35 111.647 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.99 89.58 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.104 -0.569 . . . . 63.21 112.552 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.2 -52.28 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.862 0.363 . . . . 61.1 111.099 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 83.6 mt -56.3 -47.78 77.99 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.95 0.405 . . . . 73.43 111.412 178.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -57.9 -37.0 73.23 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.881 0.372 . . . . 64.43 111.702 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.3 t -62.33 -40.94 98.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.852 0.358 . . . . 62.41 111.526 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.529 ' HB3' HD13 ' A' ' 52' ' ' LEU . 97.8 m-85 -85.9 1.57 49.43 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.182 0.438 . . . . 74.42 112.182 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 68.81 64.72 0.31 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.558 0.694 . . . . 70.41 111.045 -174.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.9 mt -128.28 6.4 5.84 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.93 -0.577 . . . . 75.51 111.33 176.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.93 68.33 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.823 -0.704 . . . . 63.32 112.89 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.31 -2.1 15.11 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.467 0.543 . . . . 64.34 112.467 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -54.26 -32.74 24.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 112.056 0.391 . . . . 73.51 112.056 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.32 -35.33 90.11 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.994 -0.622 . . . . 61.2 112.63 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.5 m -75.78 -48.51 21.41 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.877 0.37 . . . . 65.02 111.42 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.8 ptm -75.5 -7.68 54.78 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 120.954 0.407 . . . . 65.44 111.837 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.83 32.24 64.01 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 121.272 -0.49 . . . . 63.55 113.707 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.1 20.81 1.8 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.401 0.519 . . . . 51.51 112.401 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -63.27 -35.22 79.63 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.133 0.42 . . . . 64.31 112.133 -177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -93.75 5.58 51.19 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.75 0.309 . . . . 71.23 111.52 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -98.95 148.16 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.924 0.392 . . . . 63.12 111.802 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 96.6 p -71.56 154.65 41.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.173 -0.467 . . . . 42.42 111.837 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.8 mt -52.69 -46.76 67.41 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.997 0.74 . . . . 71.51 112.997 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.618 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 43.7 tt0 -65.17 -44.83 87.25 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.135 0.42 . . . . 70.24 112.135 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -58.54 -52.94 63.53 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.549 0.214 . . . . 62.51 111.147 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.43 94.81 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 121.119 -0.562 . . . . 74.42 113.211 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.21 24.58 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.851 0.358 . . . . 24.45 111.565 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -62.35 -31.31 71.94 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.645 0.26 . . . . 63.1 111.574 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.02 -26.69 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.021 0.439 . . . . 74.2 111.336 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -101.91 11.18 38.99 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.304 -0.407 . . . . 72.13 111.599 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.92 52.99 40.5 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.335 -0.46 . . . . 53.53 113.209 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 28' ' ' TYR . 75.8 mt -126.4 163.97 22.12 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.182 0.515 . . . . 71.52 111.947 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -101.05 100.2 10.76 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.957 -0.565 . . . . 72.23 110.525 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 p -57.84 -31.26 40.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 N-CA-C 112.185 0.439 . . . . 73.53 112.185 -176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -55.88 -46.31 78.34 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.212 0.529 . . . . 75.13 111.223 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.419 ' CG ' HH21 ' A' ' 59' ' ' ARG . 36.9 t70 -69.79 -39.0 76.85 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.873 -0.603 . . . . 71.23 110.746 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 64.6 mt -60.0 -46.98 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 116.22 -0.445 . . . . 74.34 111.109 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.2 mt -55.88 -42.83 76.52 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.497 -0.32 . . . . 74.54 111.102 178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.419 HH21 ' CG ' ' A' ' 56' ' ' ASP . 31.1 ttp85 -52.61 -54.97 25.89 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.079 -0.51 . . . . 75.53 111.127 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.74 74.36 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.199 -0.455 . . . . 72.4 111.24 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 83.7 mt -67.31 -51.02 57.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.452 -0.34 . . . . 74.33 111.84 177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.588 ' ND2' HE21 ' A' ' 3' ' ' GLN . 46.6 m-80 -68.22 -27.6 66.51 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.934 0.397 . . . . 72.43 111.102 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -29.29 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.224 -0.444 . . . . 51.23 111.655 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.27 -24.41 67.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.192 -0.458 . . . . 73.34 112.038 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -102.14 -27.52 12.85 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 51.12 111.952 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.3 mt -81.23 -18.51 45.82 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.156 0.428 . . . . 73.04 112.156 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 68.33 -78.52 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.754 0.421 . . . . 51.22 112.089 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 71' ' ' HIS . 9.8 p80 40.97 16.52 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.386 1.254 . . . . 73.45 114.386 -174.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -113.31 -63.6 1.42 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.433 0.635 . . . . 74.14 109.365 169.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -65.71 -14.17 60.74 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.088 -0.96 . . . . 73.41 111.297 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' O ' ' HA ' ' A' ' 68' ' ' HIS . 86.4 t60 -148.71 104.66 3.49 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.46 -0.336 . . . . 64.32 111.0 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -157.07 117.02 3.47 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.892 0.377 . . . . 74.43 111.505 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.0 m80 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.908 -0.568 . . . . 74.24 111.743 177.172 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.7 pmm? . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 112.133 0.42 . . . . 72.14 112.133 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.7 m -98.47 140.39 32.79 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.465 0.542 . . . . 63.13 112.465 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -102.81 133.69 47.46 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.099 -0.501 . . . . 72.23 110.492 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -68.12 -46.63 70.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.246 0.546 . . . . 73.22 110.643 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.571 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 -98.11 119.61 37.06 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.813 -0.63 . . . . 73.23 110.424 176.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' ' 9' ' ' MET . 5.2 t -123.85 156.28 36.49 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.026 -0.534 . . . . 50.35 111.799 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.1 ptpt -59.16 -21.09 58.84 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.87 0.366 . . . . 72.41 111.864 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.8 -38.17 73.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.874 -0.603 . . . . 64.43 112.598 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.0 ptm -75.1 154.99 37.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 75.24 111.956 -174.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 42.7 p -84.96 162.95 19.21 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.186 0.439 . . . . 74.55 112.186 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 87.1 m-85 -54.26 -41.45 68.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.103 -0.498 . . . . 73.41 111.262 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -60.26 -48.55 81.25 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.953 0.406 . . . . 71.3 111.41 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 26.7 mt-30 -56.87 -44.45 82.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.977 0.418 . . . . 75.51 110.982 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.15 -51.39 70.2 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.167 -0.47 . . . . 53.45 111.602 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 97.5 mt -55.99 -36.74 68.23 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.998 0.428 . . . . 74.12 111.676 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -75.84 -20.11 58.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.244 0.461 . . . . 73.34 112.244 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.5 m -83.27 -36.72 24.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 111.862 0.319 . . . . 64.11 111.862 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -150.18 125.64 4.91 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 122.386 0.275 . . . . 72.23 111.473 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.26 -31.07 92.79 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.584 2.189 . . . . 70.33 113.064 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -22.72 65.82 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.261 -0.495 . . . . 42.15 113.596 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.7 -37.78 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 111.79 0.293 . . . . 61.35 111.79 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.38 -47.22 72.91 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.927 0.394 . . . . 53.03 111.397 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.49 -43.83 91.51 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.108 -0.568 . . . . 43.34 112.585 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -52.19 60.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.956 0.408 . . . . 63.42 111.434 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.18 -42.22 85.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.592 -0.276 . . . . 54.34 111.371 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -59.69 -38.17 80.84 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.049 0.452 . . . . 74.42 111.242 175.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -65.24 -30.59 71.49 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.163 0.506 . . . . 65.13 111.246 176.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.453 ' CD2' HG12 ' A' ' 57' ' ' ILE . 42.2 m-85 -93.61 13.59 21.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.481 0.548 . . . . 72.14 112.481 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.2 t30 67.64 24.29 8.53 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 121.603 0.716 . . . . 73.34 111.75 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.8 mt -106.78 14.82 26.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.044 -0.525 . . . . 74.32 111.485 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.18 -16.99 67.56 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 114.446 0.538 . . . . 62.32 114.446 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.9 m -72.51 -8.3 54.43 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.889 0.7 . . . . 51.34 112.889 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 30' ' ' LEU . 29.0 pt -51.21 -42.17 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 113.383 0.882 . . . . 52.43 113.383 -175.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.53 -42.07 89.22 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.716 -0.754 . . . . 64.52 113.411 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -72.0 -39.06 69.5 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.398 0.518 . . . . 65.22 112.398 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.2 ptm -85.79 -8.78 57.9 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.073 0.398 . . . . 71.24 112.073 -177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.8 23.55 61.81 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 121.032 -0.604 . . . . 34.42 113.543 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.36 16.47 0.61 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.38 0.511 . . . . 62.24 112.38 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.596 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 31.5 mm-40 -59.44 -26.03 64.86 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.093 0.473 . . . . 75.32 111.592 178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -87.72 -1.25 57.84 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.104 -0.498 . . . . 31.21 112.066 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -95.94 135.6 37.48 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.897 0.38 . . . . 75.23 111.938 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 73.7 m -70.05 151.36 45.61 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.487 -0.324 . . . . 65.52 111.567 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -52.32 -50.39 62.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.615 0.598 . . . . 52.25 112.615 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.779 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.8 tt0 -63.06 -41.41 99.46 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.206 -0.309 . . . . 70.51 111.685 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -56.44 -54.71 42.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.942 0.401 . . . . 72.13 110.819 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.28 97.26 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.216 -0.516 . . . . 74.41 113.44 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.23 -59.98 4.04 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.867 0.365 . . . . 65.01 111.412 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -63.16 -35.2 79.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.66 0.266 . . . . 73.12 111.474 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.09 -16.62 64.1 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.008 0.373 . . . . 53.33 112.008 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -112.75 10.66 19.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.771 0.319 . . . . 71.21 111.66 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.29 40.37 49.36 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 121.585 -0.34 . . . . 52.4 113.58 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.5 mt -127.33 151.05 49.26 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.437 -0.449 . . . . 42.3 111.279 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.63 116.08 27.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 110.075 -0.343 . . . . 64.01 110.075 172.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.9 p -56.55 -34.71 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 112.031 0.382 . . . . 54.32 112.031 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -61.59 -38.5 87.78 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.023 0.379 . . . . 73.3 112.023 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.85 -37.44 84.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.256 0.55 . . . . 72.5 110.108 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.453 HG12 ' CD2' ' A' ' 28' ' ' TYR . 39.6 mt -68.77 -46.24 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.778 -0.647 . . . . 74.44 111.144 178.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 81.9 mt -56.38 -32.89 65.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.768 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -54.95 -56.03 24.16 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.985 0.422 . . . . 71.01 111.26 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.32 -38.52 87.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.152 -0.476 . . . . 53.21 110.92 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.69 -51.5 68.16 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.853 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -66.29 -29.41 69.62 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.257 -0.277 . . . . 73.44 111.239 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.35 65.82 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 120.721 0.296 . . . . 53.4 111.593 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.26 -30.6 71.71 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.051 0.453 . . . . 74.24 111.456 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.16 -41.86 10.77 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.01 0.374 . . . . 75.32 112.01 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.1 mt -77.12 -44.53 30.08 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.962 0.41 . . . . 72.04 111.78 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 61.96 -87.94 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.125 0.57 . . . . 63.21 112.307 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.1 p80 41.45 24.01 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 113.255 0.835 . . . . 71.54 113.255 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -108.91 105.92 15.67 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.627 -0.509 . . . . 73.4 109.627 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -109.39 174.41 5.88 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.114 0.783 . . . . 74.54 113.114 -169.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -120.99 115.15 22.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.18 -0.464 . . . . 65.34 111.869 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -87.16 174.37 8.67 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.55 -0.296 . . . . 61.42 110.318 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.796 -0.621 . . . . 75.03 111.393 179.498 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.0 tpp . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 120.388 0.137 . . . . 63.41 110.765 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 m -56.45 116.99 3.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.556 0.576 . . . . 74.24 112.556 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -102.94 127.16 50.27 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.988 -0.375 . . . . 74.44 109.988 170.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -63.08 -29.0 70.46 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.48 0.548 . . . . 72.11 112.48 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' HB2' ' ND2' ' A' ' 62' ' ' ASN . 88.0 m-85 -106.24 113.34 26.81 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.863 0.363 . . . . 62.44 110.66 175.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.564 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.8 t -126.01 163.85 22.14 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.051 0.453 . . . . 65.25 111.965 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -63.46 -19.62 64.89 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.345 -0.388 . . . . 73.31 111.746 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.35 -44.79 78.16 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.947 -0.57 . . . . 74.43 112.358 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.5 ptm -69.55 153.73 43.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.122 0.487 . . . . 65.51 111.843 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.4 p -91.16 167.34 12.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.268 -0.424 . . . . 71.01 112.049 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -57.87 -42.57 84.81 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.082 -0.508 . . . . 70.13 111.393 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -58.93 -43.79 91.22 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.886 0.374 . . . . 74.43 111.2 178.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.55 -42.51 98.36 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.211 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -59.73 -46.08 90.22 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.38 -0.373 . . . . 72.23 111.639 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.74 -30.01 69.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.898 0.38 . . . . 73.35 111.601 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.3 mm-40 -78.44 -31.8 48.23 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.859 0.362 . . . . 75.43 111.33 176.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.5 m -65.07 -52.61 54.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.004 0.43 . . . . 75.35 111.077 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.47 122.83 6.21 Favored Pre-proline 0 N--CA 1.472 0.661 0 CA-C-N 116.388 -0.369 . . . . 72.21 111.234 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.08 -29.41 65.37 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.696 2.264 . . . . 75.34 112.969 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.25 -19.43 61.84 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 121.355 -0.45 . . . . 41.44 113.77 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG11 ' HB1' ' A' ' 14' ' ' ALA . 79.3 t -58.1 -35.82 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.835 0.318 . . . . 65.31 111.614 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.78 -50.37 63.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.95 0.405 . . . . 61.41 111.334 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.97 -37.81 94.45 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.106 -0.568 . . . . 73.55 113.098 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 64' ' ' LEU . 59.9 t -63.89 -46.66 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.955 0.407 . . . . 72.25 110.962 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 87.6 mt -58.37 -48.64 79.96 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.266 -0.425 . . . . 41.32 110.722 177.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -57.39 -44.07 84.19 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.169 0.509 . . . . 74.31 110.963 175.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.08 -36.01 76.44 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.898 -0.592 . . . . 72.02 111.647 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -90.5 10.32 25.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.513 0.561 . . . . 72.22 112.513 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.6 t30 67.25 20.52 10.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.716 0.769 . . . . 64.52 111.486 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 33' ' ' ILE . 96.5 mt -90.17 -1.45 57.94 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.078 -0.51 . . . . 62.33 111.63 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.31 -22.6 30.81 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.339 -0.458 . . . . 42.33 113.566 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.8 m -65.26 -2.34 2.96 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.886 0.698 . . . . 74.11 112.886 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 30' ' ' LEU . 22.6 pt -56.91 -22.71 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 112.481 0.548 . . . . 75.14 112.481 178.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.93 -52.11 40.21 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 121.159 -0.543 . . . . 63.53 113.314 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.7 t -72.71 -41.1 65.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.022 0.379 . . . . 62.41 112.022 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -75.39 -9.69 58.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.663 0.268 . . . . 74.25 111.588 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 37.53 93.88 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.323 -0.465 . . . . 74.54 113.337 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 12.83 3.51 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.245 0.461 . . . . 71.11 112.245 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.417 HE22 HD12 ' A' ' 33' ' ' ILE . 27.2 mm-40 -57.71 -42.46 83.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.124 0.488 . . . . 71.31 111.175 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -89.58 14.73 10.85 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.857 -0.61 . . . . 63.15 111.823 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -110.29 139.22 45.7 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.712 0.291 . . . . 72.31 111.199 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 63.0 m -64.84 151.23 46.01 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.252 0.464 . . . . 74.15 112.252 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 9' ' ' MET . 91.3 mt -52.1 -46.84 65.43 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.411 0.522 . . . . 52.04 112.411 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.6 tt0 -63.5 -42.94 98.51 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 122.149 -0.345 . . . . 52.03 111.464 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -57.79 -55.62 32.46 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.891 0.377 . . . . 71.2 111.013 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.62 -36.95 93.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.177 -0.535 . . . . 72.4 113.024 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.67 -58.76 6.93 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.603 -0.351 . . . . 45.12 111.149 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -60.18 -35.01 74.41 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.693 0.283 . . . . 72.5 111.238 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.66 71.21 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.956 0.408 . . . . 53.23 111.333 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.66 0.16 49.35 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.995 0.426 . . . . 74.23 111.517 175.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.27 45.25 71.24 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 116.368 -0.378 . . . . 53.32 113.439 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.4 mt -125.87 148.43 49.17 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.907 0.385 . . . . 73.32 111.663 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.3 t-20 -70.72 109.71 5.1 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.348 -0.387 . . . . 72.35 111.154 177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.464 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.4 p -58.34 -35.42 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 112.251 0.463 . . . . 62.43 112.251 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.6 -46.41 85.94 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.003 0.371 . . . . 74.12 112.003 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 26.2 t70 -64.41 -34.23 77.69 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.891 0.376 . . . . 51.52 110.62 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.53 HD13 HD11 ' A' ' 30' ' ' LEU . 63.5 mt -62.78 -47.36 93.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.165 0.507 . . . . 64.12 110.592 173.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 91.9 mt -57.71 -32.39 67.34 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.03 -0.532 . . . . 74.22 111.501 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 57.8 ttp85 -56.39 -55.12 37.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.878 0.37 . . . . 72.41 111.245 175.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.85 -41.0 96.04 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.141 0.496 . . . . 70.21 110.87 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.25 -51.69 68.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.298 -0.41 . . . . 73.33 111.991 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 47.8 m-80 -66.71 -25.78 66.7 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.203 -0.31 . . . . 74.25 111.147 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.27 70.89 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.73 0.3 . . . . 63.02 110.944 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.46 HD11 HG21 ' A' ' 24' ' ' VAL . 91.9 mt -68.69 -25.18 64.66 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.09 0.471 . . . . 73.52 111.217 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.58 -48.2 12.08 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.964 0.411 . . . . 61.12 111.127 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.62 -59.32 2.9 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.058 -0.519 . . . . 72.12 111.614 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 63.95 -66.08 0.12 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.322 0.649 . . . . 74.23 112.022 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -57.16 119.75 6.9 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.086 0.47 . . . . 73.34 111.236 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -75.13 -22.78 57.93 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.049 0.452 . . . . 63.11 111.476 -177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -75.53 134.86 40.65 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.9 0.381 . . . . 74.33 110.387 172.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -142.62 142.79 32.16 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.722 0.296 . . . . 55.34 111.432 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -85.28 -21.97 28.77 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 111.737 0.273 . . . . 70.22 111.737 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.0 m170 . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.657 -0.687 . . . . 73.53 111.056 174.167 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.496 0.189 . . . . 73.44 110.619 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 t -137.7 144.38 41.73 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.06 0.457 . . . . 72.34 112.153 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -96.13 118.59 33.02 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.616 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -71.84 -27.44 62.9 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.023 0.44 . . . . 74.31 110.473 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -108.17 98.18 7.77 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.356 -0.609 . . . . 73.12 109.356 169.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.568 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.7 t -106.23 174.85 5.71 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.49 0.552 . . . . 72.24 112.49 -174.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.743 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.3 ptpt -84.34 -19.85 32.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.335 -0.393 . . . . 64.52 112.01 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.04 -32.81 61.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 72.31 111.507 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 6' ' ' THR . 21.9 ptm -70.66 146.1 50.19 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.007 0.432 . . . . 74.41 111.153 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 21.4 p -78.44 160.57 27.65 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.912 0.386 . . . . 63.41 111.743 -177.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' HB3' HD12 ' A' ' 33' ' ' ILE . 87.9 m-85 -53.2 -41.46 65.32 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.334 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.47 79.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.412 -0.358 . . . . 70.12 111.324 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.2 mt-30 -55.97 -48.56 75.6 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.019 0.438 . . . . 62.34 110.869 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.34 -50.07 75.39 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.174 -0.466 . . . . 64.21 111.969 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD21 HD12 ' A' ' 25' ' ' LEU . 97.6 mt -59.03 -33.72 71.07 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.946 0.403 . . . . 75.51 111.842 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -80.07 -17.79 51.75 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 111.869 0.322 . . . . 72.5 111.869 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -74.6 -59.17 2.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.9 0.381 . . . . 73.41 110.868 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -141.02 123.37 9.51 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 122.722 0.409 . . . . 61.03 110.852 176.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.03 -23.57 53.0 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.815 2.343 . . . . 61.44 113.302 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.99 -30.0 66.0 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 121.297 -0.478 . . . . 64.11 113.16 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.433 HG13 HD22 ' A' ' 61' ' ' LEU . 99.3 t -54.24 -35.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 122.395 0.278 . . . . 62.52 111.558 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.04 77.54 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.485 -0.325 . . . . 60.41 111.698 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -43.18 99.34 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.158 -0.544 . . . . 52.21 112.821 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.34 -49.01 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.929 0.395 . . . . 51.41 111.53 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 HD12 HD21 ' A' ' 15' ' ' LEU . 87.6 mt -58.35 -47.56 83.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.097 0.475 . . . . 73.02 111.224 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -62.74 -30.31 71.34 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.474 -0.33 . . . . 54.22 111.254 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 t -67.12 -38.86 86.34 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.07 0.462 . . . . 73.23 111.413 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 52' ' ' LEU . 23.8 m-85 -84.09 3.04 36.53 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 112.338 0.495 . . . . 73.15 112.338 178.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 70.7 63.33 0.19 Allowed 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.797 0.808 . . . . 52.34 111.192 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 33' ' ' ILE . 95.9 mt -133.55 13.34 4.11 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.595 -0.73 . . . . 55.33 110.735 175.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.65 -21.76 67.37 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.929 -0.653 . . . . 40.42 113.665 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 35' ' ' CYS . 50.9 t -77.18 -1.04 27.38 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.299 0.481 . . . . 51.32 112.299 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.498 HG23 ' O ' ' A' ' 30' ' ' LEU . 14.1 pt -52.4 -32.75 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 112.749 0.648 . . . . 74.24 112.749 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.19 -45.54 70.29 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.726 -0.749 . . . . 64.23 112.326 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 60.3 m -67.25 -50.88 58.85 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.749 0.309 . . . . 62.41 111.748 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 25.4 ptm -74.93 2.72 9.7 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.402 0.519 . . . . 72.11 112.402 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.37 13.45 79.85 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 114.152 0.421 . . . . 31.14 114.152 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 5.2 3.17 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.732 0.641 . . . . 73.15 112.732 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.4 -38.94 75.11 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.817 0.341 . . . . 74.44 111.842 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.73 5.41 43.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.925 0.393 . . . . 75.03 111.574 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 45' ' ' GLN . 29.0 tt0 -103.64 147.05 27.68 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.629 -0.26 . . . . 50.43 110.837 -177.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.522 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 95.9 p -70.22 151.13 45.7 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.018 0.437 . . . . 71.02 111.901 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 6' ' ' THR . 86.3 mt -52.58 -40.3 62.46 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.753 0.649 . . . . 64.4 112.753 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.9 tt0 -66.93 -43.07 84.23 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 111.833 0.308 . . . . 73.21 111.833 -177.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' HB2' ' HG2' ' A' ' 41' ' ' GLU . 78.8 mt-30 -61.22 -52.18 65.87 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.781 0.324 . . . . 74.24 111.124 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.74 -35.45 86.33 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 121.01 -0.614 . . . . 53.12 112.87 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.5 -56.92 15.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.818 0.342 . . . . 63.13 111.156 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -58.27 -36.11 72.79 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.621 0.248 . . . . 73.54 111.453 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.07 81.24 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.435 -0.348 . . . . 74.34 111.86 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -90.74 -0.23 57.64 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.824 0.305 . . . . 55.44 111.824 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.72 55.16 6.1 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 121.306 -0.473 . . . . 64.34 112.811 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 28' ' ' TYR . 92.1 mt -128.86 140.21 51.8 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.035 0.445 . . . . 72.42 111.796 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -71.97 103.3 3.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.975 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.47 -35.38 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 116.087 -0.506 . . . . 72.11 112.305 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -61.82 -36.87 82.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.697 0.284 . . . . 72.24 111.664 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.42 -32.45 64.42 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.017 0.437 . . . . 70.42 110.72 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.06 -55.14 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.348 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 7' ' ' LYS . 81.9 mt -55.85 -35.58 66.6 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.131 0.491 . . . . 74.22 110.992 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 59' ' ' ARG . 2.1 ttp180 -51.42 -55.67 17.42 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.611 -0.722 . . . . 73.5 111.675 175.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.71 -33.19 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.954 0.406 . . . . 75.21 111.2 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD22 HG13 ' A' ' 21' ' ' VAL . 83.6 mt -62.43 -51.46 67.45 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 111.955 0.354 . . . . 74.2 111.955 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 122.071 -0.393 . . . . 63.2 111.117 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.92 71.79 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.695 0.283 . . . . 74.32 111.225 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.84 -35.03 72.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.274 0.559 . . . . 75.24 111.183 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.49 -33.76 47.94 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.999 -0.546 . . . . 75.15 111.431 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.9 mt -85.72 -15.26 42.8 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.157 -0.474 . . . . 65.14 112.095 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 59.91 -79.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.018 0.527 . . . . 75.31 112.045 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.3 p80 47.69 114.92 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.299 1.222 . . . . 73.25 114.299 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -150.19 149.41 30.17 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.926 -0.483 . . . . 64.33 110.652 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -66.66 147.53 53.14 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.994 0.426 . . . . 72.24 111.972 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -64.25 144.82 56.86 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.081 -0.509 . . . . 74.21 111.924 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -136.31 132.85 36.23 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.867 0.365 . . . . 61.24 110.86 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.815 -0.612 . . . . 52.54 111.514 179.263 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.649 0.261 . . . . 75.43 111.051 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.6 m -65.81 115.36 5.86 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.349 -0.387 . . . . 61.13 111.62 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -119.0 144.2 46.65 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.993 0.425 . . . . 71.25 111.344 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 6.3 mmpt? -80.86 -34.45 33.72 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.815 0.341 . . . . 62.41 111.693 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.663 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.7 m-85 -117.85 124.72 49.03 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.049 0.452 . . . . 54.24 111.899 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -125.09 161.94 25.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.93 -0.577 . . . . 53.22 111.517 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.1 ptpt -64.49 -28.25 69.53 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.29 0.478 . . . . 63.35 112.29 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -93.39 4.17 54.41 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.702 0.63 . . . . 63.15 112.702 -171.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 25.7 ptm -94.18 153.33 18.14 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.891 -0.506 . . . . 63.22 110.721 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.497 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 43.4 p -76.48 152.33 36.14 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.24 0.459 . . . . 74.21 112.24 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -54.68 -37.71 66.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.23 -0.441 . . . . 70.45 111.434 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -51.23 70.1 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.438 -0.346 . . . . 61.22 111.51 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.497 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.7 mt-30 -57.33 -42.97 82.93 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.465 -0.334 . . . . 74.31 111.337 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.24 -50.06 74.07 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.013 0.435 . . . . 72.03 111.178 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.56 -40.37 91.38 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.559 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -68.68 -16.79 63.94 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 111.985 0.365 . . . . 71.25 111.985 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.4 m -82.71 -52.95 6.29 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.694 0.283 . . . . 74.21 111.325 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -145.28 128.83 8.53 Favored Pre-proline 0 N--CA 1.476 0.857 0 O-C-N 122.343 -0.223 . . . . 74.24 111.156 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.83 -35.2 87.88 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.826 2.35 . . . . 74.2 113.511 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.32 -19.13 31.55 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 113.987 0.355 . . . . 63.43 113.987 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.415 HG11 ' HB1' ' A' ' 14' ' ' ALA . 89.8 t -58.53 -32.25 45.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 116.837 0.318 . . . . 61.11 111.12 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.23 82.39 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.916 0.389 . . . . 64.31 111.281 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.89 -40.13 98.03 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.21 -0.519 . . . . 63.31 112.96 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 64' ' ' LEU . 62.1 t -62.77 -50.69 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.812 0.339 . . . . 74.04 111.194 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.89 -46.96 81.55 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.721 0.296 . . . . 63.31 111.118 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -63.92 -31.54 72.76 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 122.263 -0.273 . . . . 74.31 111.276 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' VAL . 47.6 t -61.3 -30.65 70.62 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.999 0.428 . . . . 54.15 110.991 175.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -97.62 18.17 16.15 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.62 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.43 28.7 18.14 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.279 0.562 . . . . 74.43 111.769 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' O ' HG23 ' A' ' 33' ' ' ILE . 73.2 mt -97.26 6.99 47.47 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 122.55 0.34 . . . . 63.04 111.446 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.95 -27.43 62.15 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.173 -0.537 . . . . 52.54 114.256 -174.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -73.89 3.58 6.5 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.902 0.705 . . . . 62.15 112.902 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 30' ' ' LEU . 18.6 pt -52.21 -36.43 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 122.14 -0.35 . . . . 70.02 111.862 176.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.38 -26.23 74.75 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.135 -0.555 . . . . 43.45 112.953 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -82.12 -40.96 21.14 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.91 0.386 . . . . 64.41 111.617 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.2 ptm -88.24 9.34 23.36 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.195 0.443 . . . . 74.11 112.195 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.42 24.51 67.67 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.366 -0.445 . . . . 63.42 113.872 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.34 7.32 6.67 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 122.31 -0.524 . . . . 71.12 111.869 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -57.89 -39.23 77.39 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.056 0.455 . . . . 75.33 111.357 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -91.5 12.57 20.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.041 -0.527 . . . . 74.22 111.568 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 10' ' ' THR . 34.3 tt0 -107.28 152.15 24.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.52 -0.309 . . . . 75.43 111.104 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.1 m -71.85 149.92 44.77 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.936 0.398 . . . . 52.42 112.012 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.7 mt -54.42 -43.48 71.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.039 -0.528 . . . . 71.33 112.328 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.641 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 46.4 tt0 -60.68 -43.62 97.5 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.862 0.363 . . . . 73.32 111.899 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -62.31 -50.94 69.66 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.346 -0.388 . . . . 70.24 111.3 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.59 -36.77 90.75 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 121.025 -0.607 . . . . 54.55 112.787 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.88 29.47 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.735 0.302 . . . . 75.32 111.066 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -60.51 -31.7 70.75 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.74 -0.209 . . . . 65.44 111.406 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -27.96 68.56 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.937 0.399 . . . . 65.14 111.886 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -106.11 8.97 32.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 111.901 0.334 . . . . 64.43 111.901 176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 44.86 88.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.234 -0.508 . . . . 51.45 113.181 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.1 mt -123.32 164.75 18.2 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.911 0.386 . . . . 74.52 111.578 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -98.16 112.7 24.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.251 -0.431 . . . . 72.45 110.931 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 10.6 p -57.43 -33.92 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 116.196 -0.456 . . . . 74.14 111.963 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.3 -34.44 75.23 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 121.004 0.431 . . . . 73.52 111.621 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.536 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 39.0 t70 -72.33 -37.54 68.86 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.022 0.439 . . . . 70.45 110.922 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.57 -47.84 87.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.687 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -55.51 -34.37 64.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.984 -0.553 . . . . 74.42 111.437 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.1 ttp85 -51.35 -56.57 12.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.023 0.44 . . . . 54.4 111.594 174.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.72 -32.87 66.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.379 -0.373 . . . . 72.23 111.306 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.16 -52.23 60.02 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.364 0.505 . . . . 60.43 112.364 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.82 -27.72 67.78 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 122.096 -0.378 . . . . 74.23 111.167 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.7 69.69 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.82 0.343 . . . . 74.44 111.052 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 24' ' ' VAL . 91.8 mt -62.08 -25.33 67.64 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.899 0.381 . . . . 62.35 111.536 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.8 -17.08 36.73 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.876 0.37 . . . . 51.01 111.629 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -93.56 -52.47 4.47 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.418 -0.355 . . . . 62.15 111.48 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 70.22 -50.99 0.65 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.681 0.792 . . . . 75.32 113.092 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -61.57 114.36 3.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.308 0.575 . . . . 74.14 111.126 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -77.2 124.71 28.21 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.764 -0.653 . . . . 72.1 111.774 -171.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -87.64 135.91 33.17 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.064 0.459 . . . . 71.51 111.031 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -69.72 110.6 4.99 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.646 0.61 . . . . 73.52 112.646 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -166.55 142.87 4.73 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.235 -0.439 . . . . 74.43 111.142 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.251 1.142 0 CA-C-N 116.366 -0.379 . . . . 51.23 111.845 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.519 0.2 . . . . 71.31 111.111 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.1 m -60.81 105.32 0.44 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.113 0.482 . . . . 61.21 111.745 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -91.5 177.97 6.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.209 0.528 . . . . 71.1 111.664 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -16.22 10.65 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.08 0.467 . . . . 75.03 111.447 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.5 m-85 -131.2 127.77 38.6 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.872 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.61 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.1 t -135.76 154.17 51.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.2 -0.455 . . . . 53.4 111.366 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.2 ptpt -60.83 -19.23 59.43 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.911 0.386 . . . . 74.31 111.822 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.37 -36.92 71.62 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.89 -0.595 . . . . 65.25 112.236 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.61 ' HG2' ' O ' ' A' ' 6' ' ' THR . 18.5 ptm -70.9 155.36 40.9 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.175 0.512 . . . . 72.41 111.536 -175.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 71.5 p -83.46 159.18 21.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 62.43 111.908 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HE2' HD13 ' A' ' 30' ' ' LEU . 86.7 m-85 -54.59 -40.86 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.266 -0.425 . . . . 74.04 111.372 176.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.08 84.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.468 -0.333 . . . . 61.03 111.473 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.9 mt-30 -61.16 -45.17 95.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.617 -0.265 . . . . 74.54 111.499 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -50.81 71.79 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.811 0.339 . . . . 75.32 111.486 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -56.58 -35.99 68.84 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.247 -0.433 . . . . 34.24 111.723 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -80.05 -24.93 40.36 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.459 0.541 . . . . 55.52 112.459 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.402 HG22 ' HD2' ' A' ' 18' ' ' HIS . 79.6 m -71.21 -45.79 62.59 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.051 0.453 . . . . 65.13 110.594 176.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' HD2' HG22 ' A' ' 17' ' ' THR . 18.8 m-70 -147.42 118.57 4.55 Favored Pre-proline 0 N--CA 1.474 0.739 0 CA-C-N 116.379 -0.373 . . . . 64.2 111.031 174.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.22 -23.65 37.92 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.797 2.331 . . . . 74.53 113.49 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.41 -20.58 61.29 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 121.397 -0.43 . . . . 74.02 113.063 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.04 -30.67 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 122.294 0.238 . . . . 71.53 111.383 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -53.44 -49.12 68.03 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.921 0.391 . . . . 64.41 111.413 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.17 96.41 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.109 -0.567 . . . . 75.54 112.594 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 64' ' ' LEU . 46.6 t -59.16 -49.66 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.992 0.425 . . . . 74.24 111.501 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.46 -51.77 67.18 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.268 -0.424 . . . . 74.12 111.222 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 48.5 mtp180 -58.92 -37.38 76.52 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.011 0.434 . . . . 63.34 110.733 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.6 t -61.8 -30.17 70.64 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.003 -0.544 . . . . 62.45 111.812 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -106.05 29.75 6.46 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.195 0.442 . . . . 73.44 112.195 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 67.41 6.8 5.12 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.692 0.627 . . . . 71.25 112.692 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 33' ' ' ILE . 91.2 mt -91.79 11.63 24.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.719 -0.613 . . . . 44.13 111.815 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.93 -14.53 70.69 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.963 -0.637 . . . . 41.44 113.408 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.7 m -93.59 11.24 29.47 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.354 0.502 . . . . 73.15 112.354 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.61 -35.4 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.374 0.509 . . . . 74.43 112.374 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.82 -24.09 74.2 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.024 -0.607 . . . . 53.52 113.152 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.1 m -85.92 -49.9 7.5 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.813 0.34 . . . . 71.23 111.282 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.46 -21.43 62.79 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 111.994 0.368 . . . . 65.13 111.994 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.79 65.86 1.28 Allowed Glycine 0 CA--C 1.525 0.704 0 C-N-CA 121.123 -0.56 . . . . 54.33 112.76 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.05 10.5 6.95 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.239 0.829 . . . . 52.32 113.239 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -58.6 -41.27 85.43 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 121.812 -0.555 . . . . 73.33 111.768 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -93.0 13.09 21.77 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.255 -0.43 . . . . 74.05 111.305 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -106.99 150.33 26.6 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.423 -0.353 . . . . 74.21 110.927 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 50.5 m -73.52 150.63 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.224 0.453 . . . . 70.34 112.224 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.4 mt -51.02 -49.0 61.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.78 0.659 . . . . 65.14 112.78 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 34.2 tt0 -59.69 -40.99 89.69 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.975 0.361 . . . . 75.44 111.975 -178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -60.84 -57.05 14.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.649 0.261 . . . . 64.23 111.279 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.87 -37.31 84.07 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.162 -0.542 . . . . 65.11 112.949 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.96 73.72 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.92 0.391 . . . . 63.13 111.133 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -60.24 -38.16 82.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.442 -0.344 . . . . 65.13 111.327 177.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -37.99 82.49 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.099 0.476 . . . . 43.31 111.56 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -91.37 6.49 45.16 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.45 -0.341 . . . . 73.2 111.854 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.91 53.19 39.11 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.546 -0.359 . . . . 63.22 113.12 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.1 mt -123.56 151.52 42.81 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.257 0.465 . . . . 55.35 112.257 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -82.45 101.5 10.71 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.351 173.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 p -57.83 -31.04 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 112.075 0.398 . . . . 55.13 112.075 -177.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.91 -47.97 81.25 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.013 0.435 . . . . 62.3 111.73 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -66.07 -30.26 70.74 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.313 0.577 . . . . 75.44 110.825 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.62 -48.59 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.904 -0.589 . . . . 74.14 110.815 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 99.0 mt -55.39 -36.95 66.96 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.72 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -52.72 -56.36 16.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.227 0.537 . . . . 74.12 111.125 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -67.33 -33.27 74.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.846 -0.615 . . . . 71.14 111.113 -177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.69 -52.17 61.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.389 -0.369 . . . . 74.33 111.738 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -64.9 -30.46 71.46 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.795 0.331 . . . . 71.3 111.337 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.93 67.46 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.836 0.351 . . . . 74.42 111.772 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD11 HG21 ' A' ' 24' ' ' VAL . 85.4 mt -69.9 -30.28 67.66 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.083 0.468 . . . . 73.44 111.468 176.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.79 -36.49 23.52 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.146 -0.479 . . . . 65.25 111.606 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.07 -47.48 20.45 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.184 -0.462 . . . . 73.21 111.738 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 65.14 -13.06 0.12 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.128 0.788 . . . . 72.53 113.128 -178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -57.8 146.88 30.0 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.169 0.509 . . . . 72.34 112.364 -174.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -52.59 121.61 7.43 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.667 -0.697 . . . . 73.22 111.327 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.23 161.51 30.18 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.7 -0.227 . . . . 72.13 110.801 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 60.13 26.54 15.94 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 121.547 0.689 . . . . 65.23 110.981 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -135.71 136.11 40.58 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.199 -0.455 . . . . 73.5 111.39 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 118.617 -0.706 . . . . 73.45 111.303 177.388 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.961 0.41 . . . . 73.22 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -110.38 104.65 13.45 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.524 -0.307 . . . . 65.2 111.231 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -71.91 111.09 6.86 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.797 0.332 . . . . 73.2 110.87 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -58.95 -38.42 79.0 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.864 0.364 . . . . 64.24 111.163 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.498 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 87.0 m-85 -95.56 105.14 17.08 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.156 -0.475 . . . . 74.43 109.749 171.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.559 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -128.59 165.66 20.36 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.082 0.468 . . . . 75.31 112.175 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -61.33 -24.05 66.17 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.264 -0.426 . . . . 71.31 111.894 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.46 -44.15 91.99 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.684 0.624 . . . . 74.34 112.684 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 6' ' ' THR . 19.3 ptm -71.37 151.67 43.88 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.224 0.535 . . . . 70.43 112.18 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 58.0 p -78.6 158.83 28.36 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.099 -0.5 . . . . 75.32 112.17 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 90.5 m-85 -54.09 -46.84 72.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.2 -0.454 . . . . 74.32 111.616 177.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.76 82.02 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.988 0.366 . . . . 72.2 111.988 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.77 -40.23 94.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.498 -0.319 . . . . 72.4 111.555 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.76 85.82 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.954 0.407 . . . . 71.4 111.078 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 86.4 mt -59.17 -41.35 88.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.116 -0.493 . . . . 73.11 111.397 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -69.43 -27.82 65.6 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.821 0.343 . . . . 74.13 111.815 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.6 m -72.42 -42.42 65.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.901 0.382 . . . . 52.05 110.922 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -149.53 112.28 3.44 Favored Pre-proline 0 N--CA 1.474 0.737 0 CA-C-N 116.252 -0.431 . . . . 74.23 111.319 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.19 -30.39 25.56 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.666 2.244 . . . . 64.24 113.167 175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -26.99 66.73 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.532 -0.366 . . . . 22.1 113.217 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.449 HG13 HD22 ' A' ' 61' ' ' LEU . 69.3 t -55.72 -36.05 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.813 0.339 . . . . 70.35 111.259 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -54.87 -48.8 72.49 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.483 -0.326 . . . . 64.53 111.395 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.06 98.34 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 121.242 -0.504 . . . . 75.52 112.968 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.86 -52.44 60.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.959 0.409 . . . . 73.52 111.127 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD12 HD21 ' A' ' 15' ' ' LEU . 89.0 mt -58.02 -50.07 74.68 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.356 -0.384 . . . . 61.21 111.488 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 19.9 mtp180 -60.78 -37.2 81.09 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.901 0.381 . . . . 73.04 111.225 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 t -62.8 -37.75 87.96 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.9 0.381 . . . . 74.44 111.01 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -88.96 30.1 0.97 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.309 0.485 . . . . 54.3 112.309 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 66.04 16.15 10.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.223 0.453 . . . . 75.42 112.223 173.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 33' ' ' ILE . 88.2 mt -100.47 18.16 19.76 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.808 -0.558 . . . . 75.4 111.932 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.27 72.16 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 121.258 -0.496 . . . . 72.41 113.92 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.14 -9.96 58.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.906 0.706 . . . . 74.13 112.906 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 30' ' ' LEU . 32.7 pt -51.27 -31.52 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.666 0.617 . . . . 73.33 112.666 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.57 -32.47 67.6 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 121.233 -0.508 . . . . 71.21 113.09 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.13 -48.47 8.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.555 -0.38 . . . . 61.23 111.787 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 ptm -75.8 13.97 0.74 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 112.921 0.712 . . . . 63.13 112.921 -176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.53 5.67 64.21 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 121.219 -0.515 . . . . 54.42 114.053 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.47 -4.45 11.39 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 117.157 0.479 . . . . 72.22 112.265 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.43 -36.96 62.1 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.988 0.423 . . . . 73.14 111.065 173.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -92.65 13.94 18.5 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.973 -0.558 . . . . 62.01 111.647 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -115.1 151.01 35.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.825 0.345 . . . . 73.24 111.429 -176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.57 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 71.2 m -72.49 152.33 41.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.079 0.466 . . . . 60.11 112.052 -178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 6' ' ' THR . 85.8 mt -52.57 -48.23 66.34 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.464 0.913 . . . . 64.11 113.464 -174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 39.5 tt0 -68.17 -40.4 82.31 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.127 0.417 . . . . 75.52 112.127 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -55.31 -50.43 69.6 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.057 0.456 . . . . 73.2 110.81 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.46 91.39 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.195 -0.526 . . . . 72.42 112.814 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.33 78.09 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 122.579 -0.365 . . . . 63.05 111.079 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -58.34 -36.84 74.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.765 0.317 . . . . 74.12 111.522 176.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.06 70.6 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.978 0.418 . . . . 62.43 111.689 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -106.28 8.82 32.04 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.003 0.372 . . . . 62.4 112.003 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.11 40.36 99.1 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 121.63 -0.319 . . . . 72.04 113.818 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.8 163.44 15.85 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.2 0.524 . . . . 72.04 111.729 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -94.05 113.42 25.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.957 -0.565 . . . . 44.43 110.428 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.7 p -57.53 -33.9 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 116.491 -0.322 . . . . 52.41 111.839 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.4 -31.82 72.83 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.246 0.461 . . . . 64.42 112.246 -177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 17.0 t70 -70.88 -35.45 72.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.262 0.553 . . . . 74.21 109.895 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 55.8 mt -69.84 -49.93 53.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.989 -0.55 . . . . 72.24 110.95 175.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 85.8 mt -54.67 -33.34 60.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.323 -0.399 . . . . 63.34 111.275 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 17.9 ttp-105 -50.98 -53.82 29.78 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.995 -0.548 . . . . 73.04 110.734 175.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -39.3 66.78 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.819 -0.628 . . . . 70.35 111.156 -177.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.472 HD12 HD23 ' A' ' 58' ' ' LEU . 76.7 mt -57.49 -51.09 70.87 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.417 -0.356 . . . . 72.2 111.824 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.13 -28.42 65.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.997 0.427 . . . . 74.41 110.683 176.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 -16.64 63.97 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.511 -0.313 . . . . 73.23 111.83 175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.48 -29.51 67.18 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.203 0.525 . . . . 74.21 110.722 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.09 -33.61 14.7 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.05 -0.523 . . . . 54.43 111.903 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.65 -45.13 8.22 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.118 0.485 . . . . 64.0 111.564 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' C ' ' H ' ' A' ' 69' ' ' HIS . 34.8 mt-10 59.43 -95.33 0.05 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.433 -0.803 . . . . 75.02 112.515 -174.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 64.94 -37.42 0.22 Allowed 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.11 0.781 . . . . 74.04 113.11 -173.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 67' ' ' GLU . 32.2 m80 -61.98 93.19 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.054 0.454 . . . . 65.4 111.765 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -70.89 88.18 0.74 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.494 0.664 . . . . 74.34 112.031 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -146.67 178.02 8.63 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.661 -0.7 . . . . 75.04 110.609 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -126.7 134.05 50.78 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.829 0.347 . . . . 74.21 111.214 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 29.1 p80 . . . . . 0 C--O 1.251 1.182 0 N-CA-C 112.593 0.59 . . . . 72.2 112.593 -179.218 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 120.851 0.358 . . . . 72.2 111.404 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 t -116.47 110.2 18.31 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.323 0.582 . . . . 74.12 111.299 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . 24.8 mt-30 -89.77 164.89 14.47 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.087 0.47 . . . . 70.21 111.594 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -83.27 -47.04 11.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.24 -0.437 . . . . 71.33 111.007 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.465 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 86.5 m-85 -98.69 122.61 42.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.269 -0.423 . . . . 75.44 111.262 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.0 t -112.21 170.65 8.02 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.266 0.555 . . . . 63.42 111.976 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.7 ptpt -83.37 -11.67 57.37 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.829 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -91.54 -25.66 19.13 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.039 0.385 . . . . 74.14 112.039 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 6' ' ' THR . 23.2 ptm -69.97 150.3 46.84 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.873 0.368 . . . . 71.32 111.455 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.6 p -77.88 159.22 29.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.884 0.373 . . . . 71.52 111.908 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -55.9 -40.26 72.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.301 -0.408 . . . . 72.15 110.979 174.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.68 -47.97 72.99 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.101 -0.499 . . . . 62.01 111.743 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.443 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.6 mt-30 -57.78 -54.1 50.66 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.986 0.422 . . . . 65.53 111.153 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.24 71.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.108 -0.496 . . . . 71.44 112.024 -178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 25' ' ' LEU . 95.2 mt -59.54 -30.98 68.99 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.25 0.463 . . . . 72.25 112.25 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -87.74 -20.27 26.42 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 111.929 0.344 . . . . 72.44 111.929 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.458 HG22 ' HD2' ' A' ' 18' ' ' HIS . 41.5 m -72.13 -59.21 2.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.142 0.496 . . . . 73.54 110.831 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.458 ' HD2' HG22 ' A' ' 17' ' ' THR . 7.3 m-70 -130.23 123.77 20.87 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 122.235 -0.29 . . . . 62.22 110.78 175.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.7 -30.6 56.96 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.95 2.433 . . . . 61.22 113.282 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.4 -24.1 67.24 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 121.597 -0.335 . . . . 42.32 113.818 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.21 -36.15 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.834 0.317 . . . . 73.24 111.655 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -57.92 -46.81 84.44 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.871 0.367 . . . . 42.44 111.216 177.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.3 -45.04 96.79 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.163 -0.542 . . . . 64.15 112.468 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -57.41 -52.96 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-O 121.06 0.457 . . . . 72.53 111.407 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 15' ' ' LEU . 86.0 mt -56.65 -45.0 81.89 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.797 0.295 . . . . 72.31 111.797 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 42.5 mtp180 -63.15 -31.05 72.09 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.799 0.333 . . . . 64.21 111.267 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -69.61 -42.59 74.19 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.869 0.366 . . . . 63.41 111.486 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -82.8 0.7 42.6 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.148 0.425 . . . . 74.41 112.148 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.1 t30 69.96 61.67 0.25 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.669 0.747 . . . . 54.34 111.57 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' HG23 ' A' ' 33' ' ' ILE . 81.5 mt -132.02 5.98 4.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.278 -0.874 . . . . 72.24 110.964 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.33 -17.63 62.03 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.224 -0.512 . . . . 53.14 113.299 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 36' ' ' MET . 58.1 m -66.14 -9.94 36.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.33 0.492 . . . . 72.34 112.33 178.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 30' ' ' LEU . 16.7 pt -51.69 -45.08 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.798 0.666 . . . . 63.33 112.798 -178.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -46.95 93.35 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.623 -0.798 . . . . 62.11 112.708 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.6 m -62.12 -42.79 99.58 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.074 0.398 . . . . 72.13 112.074 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.8 ptm -87.09 1.37 53.17 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.249 0.462 . . . . 73.12 112.249 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.51 28.89 72.94 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 121.284 -0.484 . . . . 22.14 113.578 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.17 15.49 5.14 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.547 0.573 . . . . 71.23 112.547 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -59.04 -35.62 73.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.228 0.537 . . . . 73.21 111.522 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -79.87 -5.56 55.74 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.823 -0.626 . . . . 73.42 111.997 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -91.56 148.9 21.95 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.36 -0.382 . . . . 62.04 111.072 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.614 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 94.3 p -78.06 155.14 30.78 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.038 0.447 . . . . 73.32 112.056 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 6' ' ' THR . 86.6 mt -53.06 -44.11 67.2 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.285 0.476 . . . . 65.14 112.285 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 36.4 tt0 -69.11 -49.51 56.47 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.174 0.435 . . . . 75.42 112.174 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.7 -39.29 90.97 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.911 0.386 . . . . 75.3 110.77 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.0 -42.98 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.974 -0.632 . . . . 32.1 112.954 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.65 -58.29 8.11 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 122.62 -0.341 . . . . 63.23 111.084 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -61.32 -34.55 75.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.526 -0.306 . . . . 62.21 111.786 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.51 -26.94 64.02 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.809 0.338 . . . . 52.32 111.639 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -105.41 -7.44 18.77 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.714 0.293 . . . . 70.13 111.69 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.76 37.28 6.14 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 121.432 -0.413 . . . . 44.45 113.84 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 HD21 ' A' ' 30' ' ' LEU . 82.6 mt -123.73 151.22 43.46 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 122.416 -0.461 . . . . 74.11 111.532 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.403 HD21 ' HB2' ' A' ' 55' ' ' GLU . 32.1 t30 -88.9 118.73 28.82 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.917 0.389 . . . . 74.32 110.966 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 13.8 p -61.42 -32.85 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.333 0.494 . . . . 70.45 112.333 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 53' ' ' ASN . 6.9 mm-40 -54.9 -47.62 74.09 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.096 0.474 . . . . 72.15 111.462 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.814 -0.63 . . . . 65.54 111.23 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.3 mt -66.57 -47.32 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.962 -0.563 . . . . 71.43 111.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.404 HD23 HD12 ' A' ' 61' ' ' LEU . 91.7 mt -55.52 -34.15 64.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.777 0.322 . . . . 62.11 111.828 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -56.78 -49.97 73.71 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.39 -0.368 . . . . 72.42 111.318 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.96 -34.04 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.986 0.422 . . . . 64.23 111.207 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 58' ' ' LEU . 82.8 mt -63.05 -52.09 64.19 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.09 0.404 . . . . 75.34 112.09 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 3' ' ' GLN . 53.0 m-80 -67.25 -25.64 66.17 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 111.756 0.28 . . . . 72.2 111.756 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.85 -30.17 67.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.872 0.368 . . . . 52.22 111.094 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.6 mt -67.71 -16.64 64.24 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.119 -0.491 . . . . 73.42 111.701 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -99.63 -31.35 11.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.911 0.386 . . . . 62.15 111.46 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.59 -52.76 41.77 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.343 -0.389 . . . . 72.13 111.474 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 54.9 24.26 5.67 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.436 0.902 . . . . 65.25 113.436 176.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -79.7 49.02 0.99 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.682 0.623 . . . . 72.52 112.682 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.6 m80 63.18 128.23 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.705 1.002 . . . . 70.21 113.705 174.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -64.5 145.82 55.53 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 115.535 -0.757 . . . . 75.13 111.954 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -112.82 171.35 7.58 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.499 -0.319 . . . . 73.3 110.863 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -154.04 164.86 37.77 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.984 0.421 . . . . 72.31 111.939 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.6 p80 . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.754 -0.641 . . . . 72.34 111.307 173.544 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.053 0.454 . . . . 70.21 111.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -135.98 155.42 50.28 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.292 -0.413 . . . . 71.11 111.083 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.4 142.42 46.73 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.643 -0.253 . . . . 72.13 111.076 -178.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -73.28 -28.09 61.92 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.001 0.429 . . . . 70.42 110.634 172.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.647 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 70.8 m-85 -110.53 106.24 15.46 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.113 -0.494 . . . . 72.31 110.21 175.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.6 t -123.1 161.5 24.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.214 -0.448 . . . . 71.5 111.94 -177.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.3 ptpt -62.75 -24.85 67.9 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.988 0.366 . . . . 44.31 111.988 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -81.21 -24.88 37.15 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.823 0.675 . . . . 71.0 112.823 -173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.647 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.9 ptm -78.12 152.33 32.88 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.037 -0.414 . . . . 75.54 111.524 -176.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.2 p -74.96 156.26 36.5 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.163 0.506 . . . . 52.34 112.302 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -56.15 -41.11 74.89 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.27 175.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.73 -46.81 81.1 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.157 -0.474 . . . . 53.31 111.585 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.81 -43.26 98.4 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.901 0.381 . . . . 72.15 111.333 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.502 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.27 -49.27 76.6 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.369 -0.378 . . . . 73.14 111.524 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 111.921 0.341 . . . . 72.35 111.921 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -72.7 -35.23 67.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.143 0.497 . . . . 72.43 111.516 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.4 m -68.52 -42.21 78.83 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.319 -0.4 . . . . 70.22 111.868 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -154.2 122.56 3.02 Favored Pre-proline 0 N--CA 1.473 0.69 0 CA-C-O 120.702 0.287 . . . . 74.42 111.754 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.78 -33.59 88.46 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.8 2.333 . . . . 64.44 112.906 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.63 -21.23 34.7 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.427 -0.416 . . . . 71.03 113.513 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.502 HG11 ' HB1' ' A' ' 14' ' ' ALA . 89.8 t -60.85 -35.05 61.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 120.703 0.287 . . . . 62.21 111.096 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.59 79.62 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.499 -0.318 . . . . 71.52 111.343 178.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.8 -42.03 99.7 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.148 -0.548 . . . . 44.31 112.733 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -61.27 -53.13 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.937 0.399 . . . . 51.5 111.078 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -57.08 -50.84 71.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.205 -0.452 . . . . 73.33 111.584 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -56.95 -44.92 83.06 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 111.752 0.279 . . . . 64.32 111.752 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -59.28 -34.28 72.08 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.113 0.483 . . . . 72.52 111.323 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.485 ' O ' HD11 ' A' ' 52' ' ' LEU . 7.2 m-85 -90.57 12.41 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.626 0.602 . . . . 72.34 112.626 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 69.95 22.49 5.81 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 121.61 0.719 . . . . 60.2 111.502 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 33' ' ' ILE . 80.9 mt -101.21 -2.33 31.55 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.962 -0.462 . . . . 74.22 111.955 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.41 -24.14 58.87 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.891 -0.671 . . . . 73.2 113.195 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.2 t -72.05 -1.31 14.24 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 112.651 0.611 . . . . 64.43 112.651 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 30' ' ' LEU . 14.2 pt -49.82 -38.45 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 112.167 0.432 . . . . 70.12 112.167 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.88 -47.41 83.21 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 121.019 -0.61 . . . . 72.02 112.523 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.64 -35.23 79.67 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.182 0.438 . . . . 71.14 112.182 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 ptm -88.8 -6.38 57.42 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.196 -0.315 . . . . 72.41 111.501 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.94 23.5 69.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.281 0.473 . . . . 55.15 114.281 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.61 24.07 0.61 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.451 0.537 . . . . 52.52 112.451 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -62.14 -43.73 98.18 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.258 0.466 . . . . 72.33 112.258 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -90.23 13.87 14.12 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.924 0.342 . . . . 52.23 111.924 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.82 145.94 29.37 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.881 0.372 . . . . 73.2 111.136 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 p -68.36 151.3 47.07 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.148 0.499 . . . . 55.54 112.233 -178.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 6' ' ' THR . 90.0 mt -52.43 -45.55 66.01 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.063 0.764 . . . . 72.15 113.063 -176.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.728 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.2 tt0 -63.5 -44.14 95.2 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.094 0.405 . . . . 71.31 112.094 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.23 -51.71 68.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.692 0.282 . . . . 74.44 111.229 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.82 93.83 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 121.154 -0.546 . . . . 71.1 112.88 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.88 52.47 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.726 0.298 . . . . 72.54 111.131 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -63.29 -33.84 76.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.577 0.227 . . . . 74.04 111.458 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.31 -28.51 68.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.008 0.432 . . . . 52.04 111.322 175.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -103.62 -1.35 28.33 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.454 -0.339 . . . . 75.5 111.835 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.79 57.38 4.15 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.654 -0.308 . . . . 70.24 113.801 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 28' ' ' TYR . 59.5 mt -131.72 165.65 23.26 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.571 -0.37 . . . . 62.54 111.683 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -94.46 112.13 23.9 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.732 -0.469 . . . . 72.24 109.732 172.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 13.1 p -59.02 -35.26 56.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 N-CA-C 111.904 0.335 . . . . 74.23 111.904 -178.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.41 -45.23 95.18 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.905 0.383 . . . . 74.04 111.579 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 15.7 t70 -62.48 -35.84 80.62 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.934 0.397 . . . . 61.31 110.8 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 60.0 mt -67.23 -51.12 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.068 -0.514 . . . . 73.31 110.857 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 89.2 mt -55.91 -32.97 64.24 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.052 -0.522 . . . . 73.31 111.274 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.498 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 7.0 ttp85 -51.44 -54.53 25.96 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.218 -0.446 . . . . 71.45 111.392 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -70.73 -43.08 69.65 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.27 -0.423 . . . . 75.51 110.917 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG22 ' A' ' 21' ' ' VAL . 81.0 mt -56.46 -51.33 68.85 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 112.174 0.435 . . . . 72.32 112.174 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -69.56 -26.76 64.64 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.997 0.427 . . . . 73.4 110.987 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -28.36 69.5 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.562 -0.29 . . . . 44.21 111.139 175.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.9 -28.54 69.9 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.994 0.426 . . . . 70.11 111.172 174.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.16 -47.63 8.33 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.181 -0.463 . . . . 61.31 111.599 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.634 ' HB3' ' HD2' ' A' ' 68' ' ' HIS . 93.4 mt -71.17 -34.15 70.68 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.106 -0.497 . . . . 71.14 112.004 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 53.19 36.19 21.86 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.82 1.045 . . . . 64.23 113.82 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.634 ' HD2' ' HB3' ' A' ' 66' ' ' LEU . 55.3 m-70 -80.64 87.4 5.79 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.968 -0.457 . . . . 65.23 110.619 174.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -119.95 112.74 19.56 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.309 -0.405 . . . . 71.11 111.147 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -138.66 32.44 2.25 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.544 0.572 . . . . 63.0 112.544 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -138.38 129.31 26.87 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.126 -0.488 . . . . 73.51 110.821 171.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -73.81 98.76 3.03 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.385 -0.371 . . . . 52.41 111.089 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 . . . . . 0 C--O 1.256 1.429 0 CA-C-O 118.983 -0.532 . . . . 74.04 111.496 -178.786 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 tpp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.797 0.332 . . . . 64.22 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -123.63 121.0 34.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.084 0.468 . . . . 74.24 111.917 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.54 ' H ' ' NE2' ' A' ' 3' ' ' GLN . 1.5 mp0 -73.37 140.35 46.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.233 -0.44 . . . . 55.54 110.987 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.561 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 8.2 mmpt? -60.68 -31.19 70.44 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.788 0.292 . . . . 75.4 111.788 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.584 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.3 m-85 -131.85 124.36 29.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.17 0.51 . . . . 65.02 111.505 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 9' ' ' MET . 6.3 t -139.95 165.3 27.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.179 -0.464 . . . . 61.11 111.516 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -64.96 -24.69 67.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.367 -0.379 . . . . 70.24 111.848 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.64 -43.37 89.7 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.135 -0.484 . . . . 74.22 112.026 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.8 ptm -74.4 154.04 38.98 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.17 0.51 . . . . 64.5 111.645 -177.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 37.3 p -82.83 162.63 21.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.092 0.472 . . . . 74.52 112.161 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HE2' HD13 ' A' ' 30' ' ' LEU . 86.9 m-85 -55.14 -43.34 74.08 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.147 -0.479 . . . . 71.1 111.514 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.82 79.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.869 0.366 . . . . 54.43 111.512 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.3 mt-30 -57.99 -46.77 84.69 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.311 -0.404 . . . . 72.2 111.119 178.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.75 -49.61 76.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.826 0.346 . . . . 51.44 111.394 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.78 -35.58 78.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.168 -0.469 . . . . 65.41 111.841 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -76.22 -25.09 54.75 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.94 0.348 . . . . 75.41 111.94 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -73.05 -52.94 12.44 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.572 0.225 . . . . 61.53 110.94 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.6 m-70 -145.85 134.11 10.74 Favored Pre-proline 0 N--CA 1.474 0.738 0 CA-C-O 120.681 0.277 . . . . 74.32 111.286 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 38.3 Cg_exo -60.82 -34.22 91.74 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.959 2.44 . . . . 75.13 113.641 -177.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.86 -22.77 35.34 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 114.096 0.399 . . . . 72.03 114.096 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 89.9 t -54.71 -37.4 39.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.865 0.364 . . . . 65.53 111.717 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.44 76.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.975 0.416 . . . . 52.44 111.617 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.66 -44.78 94.47 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 121.274 -0.489 . . . . 62.4 112.413 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.49 -46.66 96.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-O 120.973 0.416 . . . . 73.0 111.313 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 33' ' ' ILE . 91.5 mt -57.47 -53.08 62.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.308 -0.405 . . . . 75.11 110.945 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -57.37 -39.06 75.23 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.948 0.404 . . . . 72.43 111.359 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.6 t -61.25 -30.52 70.51 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.594 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' O ' HD11 ' A' ' 52' ' ' LEU . 49.9 m-85 -107.52 36.13 2.83 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.734 0.642 . . . . 74.52 112.734 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 66.0 9.44 6.17 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 112.512 0.56 . . . . 62.32 112.512 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.3 mt -94.41 23.74 5.0 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.74 -0.6 . . . . 54.41 111.451 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.36 -5.16 87.59 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.783 -0.722 . . . . 73.25 112.96 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 44.4 t -100.66 15.03 29.53 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.937 0.398 . . . . 74.44 111.625 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -56.58 -35.55 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.336 0.495 . . . . 71.44 112.336 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.88 -33.83 85.25 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.054 -0.594 . . . . 74.4 113.18 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 52.2 t -77.54 -33.34 54.22 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 122.546 -0.385 . . . . 54.31 111.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.7 ptm -91.2 6.1 46.44 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.26 0.467 . . . . 72.12 112.26 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.63 26.86 71.23 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.177 -0.535 . . . . 60.15 113.531 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.11 2.11 13.82 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.902 0.704 . . . . 61.51 112.902 -175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -56.47 -45.48 80.88 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.927 -0.483 . . . . 61.2 111.313 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -91.97 18.17 8.27 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.277 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -113.83 144.0 43.73 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.249 -0.432 . . . . 74.52 111.147 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.554 ' HB2' HE21 ' A' ' 45' ' ' GLN . 68.4 m -69.73 149.82 47.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.872 0.368 . . . . 74.03 111.753 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 6' ' ' THR . 94.2 mt -52.91 -43.71 66.43 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.921 0.711 . . . . 73.02 112.921 -176.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.712 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.3 tt0 -63.88 -48.89 74.88 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.799 0.333 . . . . 75.41 111.666 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.554 HE21 ' HB2' ' A' ' 42' ' ' SER . 51.0 mt-30 -57.21 -40.07 76.71 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.772 0.32 . . . . 63.14 111.729 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.36 64.44 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.176 -0.535 . . . . 71.15 112.69 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.36 -55.12 37.4 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.924 0.393 . . . . 64.42 111.769 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -62.32 -31.6 72.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.722 0.296 . . . . 64.51 111.778 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.42 68.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.125 0.488 . . . . 43.02 111.23 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -105.91 16.29 25.35 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.185 -0.461 . . . . 64.11 111.364 176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.38 39.72 96.58 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 116.457 -0.338 . . . . 33.34 113.806 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 28' ' ' TYR . 60.0 mt -106.62 168.44 9.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.419 0.628 . . . . 72.44 112.443 -176.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -102.1 102.29 12.75 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.489 -0.778 . . . . 61.14 110.406 174.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.0 p -56.32 -34.17 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 112.554 0.576 . . . . 63.43 112.554 -176.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -59.99 -37.96 81.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.813 0.34 . . . . 72.34 111.835 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 9.7 t70 -74.05 -41.34 61.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.886 0.374 . . . . 74.13 110.454 178.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.5 mt -55.73 -48.63 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 116.286 -0.416 . . . . 53.41 111.055 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 71.9 mt -58.94 -37.98 77.97 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.881 0.372 . . . . 74.44 111.074 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 13.2 ttp180 -55.89 -51.56 67.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.204 -0.453 . . . . 75.45 111.25 176.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.78 -32.85 68.07 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.186 -0.461 . . . . 40.3 111.364 -177.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.3 -52.38 47.92 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.52 0.563 . . . . 53.42 112.52 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -65.67 -25.02 67.15 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.906 -0.496 . . . . 63.1 111.29 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.13 65.29 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.381 -0.372 . . . . 64.33 111.508 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.56 -30.77 71.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.878 0.37 . . . . 70.22 111.585 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.68 -47.59 9.02 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.951 0.405 . . . . 73.41 111.441 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.92 -40.11 69.01 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.076 0.399 . . . . 54.2 112.076 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 59.52 -80.88 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.063 0.545 . . . . 70.32 111.94 -174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.0 p80 40.4 111.89 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.481 1.112 . . . . 75.21 113.868 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -26.96 117.23 0.08 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.757 1.021 . . . . 63.42 113.757 -178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -81.25 37.21 0.44 Allowed 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.887 -0.597 . . . . 71.51 112.064 -170.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -88.29 95.33 10.14 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.977 -0.452 . . . . 63.45 111.292 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -112.78 107.69 16.41 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.469 -0.332 . . . . 74.44 110.756 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.518 -0.753 . . . . 61.2 111.701 178.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 mtm . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.814 0.34 . . . . 72.24 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 t -146.0 177.44 8.95 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.903 0.382 . . . . 73.12 111.212 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -136.18 127.74 28.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.64 -0.254 . . . . 64.02 110.693 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -66.47 -38.14 86.67 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.165 0.507 . . . . 75.35 110.155 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.778 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 94.0 m-85 -93.96 102.24 14.32 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.696 -0.684 . . . . 72.15 109.523 170.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.0 t -112.8 173.81 6.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.267 0.556 . . . . 72.21 112.217 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.6 ptpt -71.53 -27.13 62.98 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.155 -0.475 . . . . 64.11 111.368 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.04 -33.54 61.76 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.652 -0.704 . . . . 71.23 112.396 -175.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.778 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 24.5 ptm -71.46 152.71 42.82 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.118 0.485 . . . . 73.35 111.652 -177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 69.6 p -86.36 162.07 18.38 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.326 0.491 . . . . 74.23 112.326 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -57.43 -40.59 78.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.241 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.76 77.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.818 0.342 . . . . 45.24 111.265 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.96 -47.18 83.71 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.377 -0.374 . . . . 72.21 111.299 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -58.9 -52.37 66.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.776 0.322 . . . . 53.13 111.786 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -57.05 -39.97 75.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.087 0.403 . . . . 71.04 112.087 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -76.62 -33.7 58.36 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.576 0.584 . . . . 62.33 112.576 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -58.28 -51.25 70.58 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.816 0.341 . . . . 73.12 111.425 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.2 m-70 -141.39 135.05 14.67 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.554 -0.294 . . . . 61.21 111.623 178.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 18' ' ' HIS . 31.4 Cg_exo -58.61 -45.73 28.07 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.905 2.403 . . . . 61.04 113.287 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.18 -14.75 27.0 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 114.475 0.55 . . . . 75.52 114.475 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 14' ' ' ALA . 83.9 t -56.26 -36.1 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 117.156 0.478 . . . . 50.24 111.785 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 -49.89 74.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.002 0.429 . . . . 73.42 111.349 178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.03 -37.5 92.84 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 121.295 -0.479 . . . . 60.35 113.099 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 64' ' ' LEU . 82.7 t -63.94 -55.2 23.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 120.927 0.394 . . . . 65.12 111.234 177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.79 -48.03 70.21 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.901 0.382 . . . . 74.05 111.399 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -60.39 -37.91 82.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.903 0.382 . . . . 54.33 111.459 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -61.04 -33.8 73.86 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.911 0.386 . . . . 71.23 111.736 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -97.06 5.87 49.58 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.748 0.647 . . . . 72.43 112.748 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 75.08 54.54 0.07 Allowed 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.742 0.782 . . . . 75.4 111.171 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' ILE . 85.5 mt -130.3 14.46 5.6 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.713 -0.676 . . . . 73.4 110.839 172.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -16.24 76.56 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.001 -0.619 . . . . 55.04 112.858 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 36' ' ' MET . 64.0 m -72.6 -5.45 37.39 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.332 0.493 . . . . 74.45 112.332 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 30' ' ' LEU . 25.6 pt -54.71 -26.02 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 112.696 0.628 . . . . 72.33 112.696 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.8 -48.14 10.67 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.647 -0.787 . . . . 73.44 112.301 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.72 -42.83 81.31 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.097 0.406 . . . . 52.14 112.097 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 20.7 ptm -84.35 -5.42 59.27 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.01 0.374 . . . . 70.24 112.01 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 50.6 41.73 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.182 -0.532 . . . . 52.3 113.714 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.19 21.97 14.04 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 122.423 -0.457 . . . . 62.42 111.873 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -62.93 -47.1 84.68 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.052 0.39 . . . . 64.1 112.052 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -83.76 6.23 21.95 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.324 -0.398 . . . . 72.2 111.559 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -96.09 147.44 23.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.74 0.305 . . . . 72.14 111.231 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 53.1 m -71.37 149.67 45.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.839 0.352 . . . . 73.45 111.677 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.18 -43.91 64.39 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.115 -0.493 . . . . 70.44 112.267 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.7 tt0 -59.88 -46.6 88.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.029 0.443 . . . . 75.32 111.834 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -62.49 -41.27 98.7 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.231 -0.441 . . . . 63.4 111.333 -178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.26 -39.21 82.27 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 121.158 -0.544 . . . . 61.01 112.901 176.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.8 -55.76 30.24 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.045 0.45 . . . . 53.2 111.223 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -60.23 -29.63 68.89 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.305 -0.407 . . . . 74.04 111.751 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -32.9 74.73 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.824 0.345 . . . . 63.21 111.865 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -104.56 11.26 34.49 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 111.706 0.261 . . . . 62.22 111.706 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.61 50.54 48.14 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.428 -0.415 . . . . 14.3 113.282 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.2 mt -124.46 143.64 50.53 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.847 0.356 . . . . 74.22 111.764 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -74.84 114.98 13.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.71 0.291 . . . . 74.44 110.441 173.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 p -56.43 -35.3 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.135 0.42 . . . . 62.41 112.135 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.59 -50.05 75.22 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.908 0.385 . . . . 64.13 111.84 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.35 -37.29 86.99 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 120.93 0.395 . . . . 75.35 111.281 -176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD13 HD11 ' A' ' 30' ' ' LEU . 60.6 mt -65.76 -53.05 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 120.964 0.411 . . . . 61.04 111.158 177.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 86.2 mt -55.39 -34.48 64.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.407 -0.36 . . . . 71.12 111.61 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -52.99 -55.59 22.39 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.286 -0.415 . . . . 73.11 111.633 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.81 -32.92 71.62 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 120.86 0.362 . . . . 63.35 111.362 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.43 -51.49 67.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.817 0.342 . . . . 71.13 111.713 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 45.8 m-80 -66.49 -27.99 68.22 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 122.079 -0.388 . . . . 73.52 111.298 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.09 -25.37 67.67 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 120.715 0.293 . . . . 52.44 111.351 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 24' ' ' VAL . 92.9 mt -68.01 -31.71 71.59 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.152 0.501 . . . . 63.23 110.979 173.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.65 -33.42 35.67 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.042 -0.526 . . . . 53.45 111.666 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.4 mt -79.4 -30.73 42.54 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.438 -0.346 . . . . 74.02 111.486 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 63.35 11.86 5.8 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.757 0.651 . . . . 74.2 112.757 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -98.67 115.62 29.09 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.085 0.469 . . . . 74.34 112.088 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -141.12 -40.24 0.4 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.081 -0.509 . . . . 63.33 110.939 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -112.49 -44.38 3.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.341 -0.391 . . . . 71.43 111.797 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -76.64 104.05 6.94 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.95 0.405 . . . . 53.22 110.551 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -95.4 145.23 25.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.444 0.64 . . . . 73.14 112.58 -175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.6 t60 . . . . . 0 C--O 1.252 1.233 0 CA-C-N 115.594 -0.73 . . . . 74.34 110.522 172.698 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.809 0.338 . . . . 75.15 111.272 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -129.3 176.59 7.82 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.681 -0.236 . . . . 54.14 110.848 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -133.49 158.79 42.23 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.246 0.546 . . . . 50.41 111.829 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -98.88 -9.37 24.32 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.172 -0.467 . . . . 64.43 111.437 175.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.62 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 81.9 m-85 -134.35 115.74 14.41 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.875 0.369 . . . . 73.31 111.503 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.516 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.9 t -122.28 167.25 13.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.122 -0.49 . . . . 62.25 111.605 178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.705 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 18.8 ptpt -69.78 -25.04 63.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.909 0.385 . . . . 64.33 111.601 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -80.06 -31.88 39.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.91 -0.587 . . . . 74.22 112.341 -173.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 26.0 ptm -69.85 158.8 34.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.137 0.494 . . . . 71.31 112.084 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 22.2 p -84.22 156.65 21.92 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.179 -0.464 . . . . 72.33 112.131 -176.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -55.0 -43.58 73.73 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.385 -0.37 . . . . 70.4 111.814 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -55.68 -51.22 67.99 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.775 0.321 . . . . 74.33 111.545 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.0 mt-30 -56.06 -46.2 79.03 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.319 -0.401 . . . . 53.44 111.349 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.97 -48.26 82.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.337 -0.392 . . . . 72.23 111.422 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 25' ' ' LEU . 96.3 mt -59.72 -34.07 72.44 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.175 -0.466 . . . . 75.25 112.015 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 23.5 mm-40 -76.46 -37.57 56.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.835 0.35 . . . . 65.11 111.236 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -58.5 -51.52 69.5 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.23 -0.441 . . . . 71.02 111.717 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.89 142.59 18.03 Favored Pre-proline 0 N--CA 1.472 0.636 0 CA-C-O 120.773 0.32 . . . . 55.24 111.201 175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.66 -23.57 14.46 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.707 2.272 . . . . 62.41 113.249 -175.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.79 -24.74 64.84 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.139 -0.553 . . . . 55.5 113.021 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 59.3 t -55.29 -39.94 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 120.749 0.309 . . . . 72.53 111.3 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.61 76.16 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.828 0.347 . . . . 71.23 111.395 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.87 -38.34 93.91 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 121.235 -0.507 . . . . 74.12 112.769 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.96 -51.17 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 122.57 -0.371 . . . . 70.15 111.407 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD12 HD21 ' A' ' 15' ' ' LEU . 83.0 mt -56.8 -46.05 81.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.823 0.344 . . . . 71.44 111.394 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -61.41 -34.96 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.003 0.43 . . . . 65.03 111.234 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.2 t -69.54 -34.05 73.67 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.153 0.501 . . . . 72.2 111.477 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -95.92 31.88 2.01 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.259 -0.428 . . . . 74.31 111.855 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 68.84 -8.94 0.6 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.958 0.725 . . . . 72.53 112.958 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 33' ' ' ILE . 89.4 mt -78.54 3.63 15.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.839 -0.538 . . . . 74.42 111.964 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.19 -11.86 34.88 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 121.27 -0.491 . . . . 65.24 113.779 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.0 m -90.06 8.93 30.14 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.491 0.552 . . . . 51.33 112.491 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 30' ' ' LEU . 18.0 pt -56.29 -33.73 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 112.196 0.443 . . . . 65.4 112.196 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.16 -48.62 73.17 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.911 -0.661 . . . . 61.33 112.882 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.32 -42.32 91.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.941 0.348 . . . . 61.34 111.941 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -83.51 -6.51 59.47 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.814 0.34 . . . . 71.04 111.717 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.54 25.82 75.12 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 121.606 -0.33 . . . . 74.34 113.813 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.74 54.17 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.267 0.556 . . . . 72.14 111.672 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -84.35 -42.93 15.24 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.263 -0.426 . . . . 72.13 111.124 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.64 -7.14 58.58 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.159 -0.473 . . . . 44.34 111.302 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -76.42 142.64 40.99 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.431 -0.35 . . . . 73.02 110.694 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 32.7 m -73.57 150.64 41.32 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.866 0.321 . . . . 63.05 111.866 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 6' ' ' THR . 82.9 mt -51.82 -43.74 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.359 0.503 . . . . 72.11 112.359 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.705 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 44.0 tt0 -62.4 -48.53 79.34 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.802 0.334 . . . . 74.13 111.515 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -55.04 -53.0 61.42 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.268 -0.424 . . . . 70.02 111.286 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.0 -38.28 96.35 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 121.204 -0.522 . . . . 42.52 113.263 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.47 -56.14 25.96 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.973 0.416 . . . . 74.53 111.326 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -63.04 -29.68 71.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.386 -0.37 . . . . 72.44 111.624 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.04 76.84 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.879 0.371 . . . . 61.11 111.599 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -98.01 6.88 47.14 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.298 0.481 . . . . 75.43 112.298 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 31.76 33.94 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 121.03 -0.605 . . . . 73.11 114.384 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.4 mt -127.6 166.23 18.43 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.479 -0.424 . . . . 74.33 110.928 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -101.57 132.67 47.09 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.062 0.458 . . . . 73.24 110.453 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.555 ' HB ' ' HA ' ' A' ' 44' ' ' GLU . 12.4 p -61.87 -32.04 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.912 0.708 . . . . 75.54 112.912 -173.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.7 -46.33 88.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.597 0.591 . . . . 73.54 112.597 -174.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -56.77 -42.02 78.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.232 0.539 . . . . 73.31 110.907 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.12 -49.57 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 116.08 -0.509 . . . . 75.04 110.907 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' HG ' HG22 ' A' ' 54' ' ' VAL . 92.7 mt -56.38 -38.44 71.47 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.506 -0.315 . . . . 63.11 111.406 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.04 -48.01 71.0 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.846 0.355 . . . . 74.14 111.076 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.33 -38.02 68.74 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.776 0.322 . . . . 61.11 111.059 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.27 -51.84 66.09 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.972 0.415 . . . . 63.34 111.884 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -67.43 -26.22 66.31 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.796 0.332 . . . . 64.14 111.038 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.34 -26.17 66.37 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 120.623 0.249 . . . . 72.31 111.205 174.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.04 -23.2 64.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.841 0.353 . . . . 63.22 111.364 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.97 -33.11 16.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.13 0.49 . . . . 41.45 110.91 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.33 -52.88 19.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.163 -0.471 . . . . 75.43 111.342 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 62.61 -6.17 0.17 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 113.802 1.038 . . . . 75.2 113.802 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -71.12 -43.25 68.01 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 122.017 -0.427 . . . . 72.13 111.443 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -83.62 99.89 10.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.292 0.568 . . . . 63.4 110.644 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -88.26 40.48 0.96 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.838 -0.619 . . . . 75.13 112.238 -170.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.2 m80 62.55 20.6 12.08 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.195 0.443 . . . . 72.52 112.195 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -68.64 -24.73 64.58 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.076 0.399 . . . . 62.34 112.076 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.255 1.368 0 C-N-CA 122.737 0.415 . . . . 60.02 111.338 -174.63 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.693 0.282 . . . . 73.53 111.334 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 t -93.33 151.73 19.59 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 120.783 0.325 . . . . 44.22 111.213 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -88.42 134.17 33.91 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.883 0.373 . . . . 72.13 111.889 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.53 -42.6 99.63 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.246 0.546 . . . . 54.02 110.287 171.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 84.8 m-85 -100.3 105.08 16.59 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.809 -0.632 . . . . 63.13 110.593 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 9' ' ' MET . 2.8 t -116.16 165.96 12.56 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.048 -0.524 . . . . 72.21 111.572 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.0 ptpt -74.16 -14.5 60.97 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.15 0.426 . . . . 74.24 112.15 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -83.42 -37.23 23.51 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.275 0.472 . . . . 62.14 112.275 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.2 ptm -63.34 152.19 38.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 120.883 0.373 . . . . 74.22 111.414 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.472 ' OG1' ' HG3' ' A' ' 13' ' ' GLN . 45.5 p -81.16 157.39 25.31 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.976 0.417 . . . . 61.13 111.913 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 33' ' ' ILE . 97.9 m-85 -53.53 -43.43 68.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.579 178.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -49.62 73.78 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.383 -0.371 . . . . 63.13 111.714 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.6 mt-30 -56.02 -49.74 72.84 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.88 0.371 . . . . 74.34 110.997 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.79 -49.05 74.24 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.315 -0.402 . . . . 75.41 111.581 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 HD12 ' A' ' 25' ' ' LEU . 96.7 mt -57.59 -36.16 71.35 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.099 0.407 . . . . 75.32 112.099 178.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.41 -19.33 42.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.955 0.407 . . . . 75.44 111.747 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -79.64 -41.1 27.67 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.781 0.324 . . . . 51.21 111.56 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -149.25 129.12 6.54 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 122.389 0.276 . . . . 53.11 111.327 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -58.28 -36.9 97.24 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.88 2.387 . . . . 63.54 113.319 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.48 -19.98 54.74 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 121.354 -0.45 . . . . 75.03 113.708 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.44 -34.91 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 120.828 0.347 . . . . 74.01 111.369 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.75 -46.9 83.85 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.882 0.373 . . . . 51.53 111.206 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.11 98.74 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.094 -0.574 . . . . 72.52 112.836 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.96 -54.27 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.31 111.323 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 HD21 ' A' ' 15' ' ' LEU . 91.0 mt -58.77 -42.11 88.16 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.36 . . . . 72.41 111.578 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -60.69 -44.66 96.27 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 120.847 0.356 . . . . 65.41 111.226 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -57.65 -42.58 83.74 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.031 0.444 . . . . 62.44 111.313 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -86.03 20.57 2.23 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.382 0.512 . . . . 71.4 112.382 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 70.01 -3.47 1.75 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 112.566 0.58 . . . . 75.45 112.566 175.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 33' ' ' ILE . 83.2 mt -77.65 -3.13 39.42 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.919 -0.488 . . . . 73.11 112.087 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.03 -17.82 17.52 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 121.357 -0.449 . . . . 62.14 113.577 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.8 m -68.69 -10.86 58.84 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 122.424 -0.457 . . . . 71.13 111.903 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 30' ' ' LEU . 31.6 pt -54.88 -37.19 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.677 0.275 . . . . 54.24 111.351 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.94 52.87 4.76 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.78 -0.528 . . . . 41.34 111.78 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 43.2 t -172.0 -43.62 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 122.88 0.472 . . . . 71.53 110.552 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.5 ptm -88.39 -0.38 57.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.113 0.412 . . . . 74.35 112.113 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.22 41.15 54.22 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 121.06 -0.591 . . . . 63.32 113.293 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.2 17.61 23.68 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 122.472 -0.428 . . . . 42.53 111.988 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -60.13 -37.99 81.71 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.524 0.565 . . . . 72.53 112.524 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -95.58 19.81 10.53 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.842 0.353 . . . . 74.25 111.921 -175.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -105.6 146.06 30.16 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.713 0.292 . . . . 71.22 110.981 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 m -63.33 150.06 44.26 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 111.855 0.317 . . . . 74.43 111.855 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 6' ' ' THR . 81.8 mt -53.74 -49.26 68.53 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.165 0.432 . . . . 73.14 112.165 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.67 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 28.4 tt0 -65.24 -37.78 88.31 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.044 0.387 . . . . 61.11 112.044 -178.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -60.46 -48.2 82.78 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.647 0.261 . . . . 70.15 111.123 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.83 -39.29 95.03 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 120.977 -0.63 . . . . 55.23 113.017 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.95 -54.26 49.17 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.495 -0.415 . . . . 52.24 111.384 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.71 -33.47 66.52 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.428 -0.351 . . . . 71.21 111.906 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.44 78.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.025 0.44 . . . . 74.32 111.294 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -89.94 -9.4 48.96 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.825 0.345 . . . . 72.12 111.492 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.87 16.56 67.51 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 121.561 -0.352 . . . . 42.12 113.41 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -102.53 156.75 17.4 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.81 0.338 . . . . 63.41 111.651 -177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -86.14 115.37 23.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.998 0.428 . . . . 72.05 111.584 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.7 p -66.07 -29.35 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-O 121.082 0.468 . . . . 61.31 111.88 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.02 -34.55 78.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.916 0.388 . . . . 71.42 111.538 -175.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 33.0 t70 -71.47 -34.19 69.98 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.065 0.46 . . . . 73.32 110.391 173.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 54' ' ' VAL . 54.1 mt -64.72 -42.44 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-O 121.052 0.454 . . . . 74.23 110.608 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 61' ' ' LEU . 90.7 mt -56.37 -35.19 67.42 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.203 -0.453 . . . . 63.02 111.149 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.575 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 51.4 ttp85 -51.75 -54.89 23.56 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.237 -0.438 . . . . 75.24 111.117 173.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 13.6 t0 -66.16 -46.3 77.92 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 120.933 0.397 . . . . 53.1 110.867 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 58' ' ' LEU . 89.5 mt -53.98 -49.58 68.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.712 0.634 . . . . 62.33 112.712 -178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -73.71 -29.69 62.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.814 0.34 . . . . 74.42 111.063 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.66 -28.3 69.83 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.679 0.276 . . . . 62.23 111.394 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 91.9 mt -55.48 -37.87 68.36 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.81 0.338 . . . . 63.24 111.784 176.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.95 -41.46 10.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.385 -0.37 . . . . 72.33 111.681 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.2 mt -69.85 -53.34 18.57 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.158 0.429 . . . . 53.43 112.158 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 55.08 28.72 11.27 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.565 0.58 . . . . 74.55 112.565 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -77.97 140.74 39.23 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.85 0.357 . . . . 72.2 110.971 175.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -72.86 113.35 9.8 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.551 -0.295 . . . . 74.04 110.733 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -64.6 86.17 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.054 0.454 . . . . 72.21 110.566 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -67.0 121.36 15.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.921 -0.581 . . . . 54.51 112.163 -174.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -90.83 148.29 22.61 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.026 0.441 . . . . 63.34 111.497 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.477 -0.773 . . . . 64.41 110.852 177.275 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 120.714 0.293 . . . . 73.11 111.368 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 t -129.06 145.59 51.23 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.973 0.415 . . . . 64.52 111.685 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -70.88 148.78 47.43 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.079 -0.509 . . . . 71.22 110.847 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -74.91 -42.22 58.19 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.134 0.492 . . . . 55.12 110.122 174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.757 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 91.1 m-85 -85.58 99.34 11.2 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.0 -0.546 . . . . 63.14 109.748 173.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.526 ' O ' ' HG2' ' A' ' 9' ' ' MET . 10.2 t -118.74 171.24 8.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.179 0.514 . . . . 54.32 111.933 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.63 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 17.9 ptpt -69.84 -17.12 63.37 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.16 -0.473 . . . . 75.33 112.157 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.42 -35.18 27.85 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.346 0.499 . . . . 74.22 112.346 -176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.757 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -70.28 154.93 41.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.052 0.453 . . . . 74.05 111.674 -175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 32.4 p -83.8 160.65 21.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.119 -0.491 . . . . 52.55 111.948 -177.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 85.2 m-85 -57.17 -38.76 74.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.297 -0.41 . . . . 71.02 111.052 174.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.04 71.77 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.648 0.261 . . . . 34.34 111.359 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 27.5 mt-30 -56.05 -47.72 77.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.9 0.381 . . . . 63.12 111.081 178.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.437 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -56.71 -50.12 73.12 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.212 -0.449 . . . . 63.5 111.668 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 11' ' ' PHE . 88.3 mt -59.46 -42.36 91.82 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.896 0.379 . . . . 75.33 111.645 178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -68.95 -28.86 67.01 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.71 0.291 . . . . 63.31 111.738 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.6 m -74.61 -40.44 61.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.899 0.38 . . . . 75.13 111.583 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -151.51 117.07 3.16 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 111.799 0.296 . . . . 72.01 111.799 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.2 -26.52 42.83 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.691 2.26 . . . . 72.04 112.967 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -26.34 67.35 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 121.416 -0.421 . . . . 65.41 113.317 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.8 t -55.12 -38.32 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.69 -0.3 . . . . 74.13 111.204 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.84 -47.71 73.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.909 0.385 . . . . 51.13 111.153 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.94 99.68 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 121.184 -0.531 . . . . 52.21 112.918 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.23 -47.9 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.769 0.319 . . . . 74.35 111.17 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 21' ' ' VAL . 92.5 mt -59.04 -43.45 91.65 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.863 0.363 . . . . 75.01 111.096 177.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.68 -36.2 80.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.894 0.378 . . . . 71.33 111.043 175.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -66.66 -38.79 87.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.254 0.549 . . . . 65.22 110.888 175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 39.2 m-85 -95.62 25.02 4.79 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.867 -0.606 . . . . 74.21 112.079 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 21.0 t-20 71.34 -15.92 0.39 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 113.253 0.834 . . . . 74.41 113.253 174.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 33' ' ' ILE . 94.7 mt -72.06 2.5 5.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.745 0.646 . . . . 62.12 112.745 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.35 -10.38 21.96 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.055 -0.593 . . . . 42.12 113.643 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 36' ' ' MET . 62.2 m -89.09 12.83 14.57 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 122.404 -0.468 . . . . 51.34 112.219 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.9 pt -53.81 -30.11 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 N-CA-C 112.419 0.526 . . . . 64.52 112.419 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.38 88.5 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.808 -0.711 . . . . 75.44 112.452 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 54.0 t -70.61 -38.01 73.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.042 0.386 . . . . 71.24 112.042 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.407 ' SD ' ' NE2' ' A' ' 50' ' ' HIS . 27.7 ptm -84.84 -3.95 58.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 111.786 0.291 . . . . 70.41 111.786 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.29 52.3 50.46 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 121.333 -0.461 . . . . 60.55 113.566 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.13 21.61 17.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.829 0.678 . . . . 75.51 112.829 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -61.34 -45.18 95.5 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.911 -0.493 . . . . 72.52 111.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -84.28 -5.79 59.31 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.089 0.471 . . . . 63.43 111.402 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -87.21 145.94 26.19 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.956 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.622 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 80.3 p -75.38 150.85 38.27 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.027 0.441 . . . . 65.24 111.887 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -49.25 -39.79 31.74 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.882 -0.599 . . . . 52.3 112.061 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.63 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.4 tt0 -65.1 -48.78 72.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.241 0.46 . . . . 74.41 112.241 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.537 ' HG3' ' OG ' ' A' ' 42' ' ' SER . 72.9 mt-30 -58.1 -50.19 74.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.779 0.323 . . . . 74.3 111.144 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.76 -39.33 97.31 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.089 -0.577 . . . . 73.21 112.951 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.1 -57.98 10.46 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.887 0.375 . . . . 71.35 111.46 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -61.59 -34.94 76.48 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.735 0.272 . . . . 64.41 111.735 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.11 -34.59 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.944 0.402 . . . . 71.4 111.497 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.407 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 25.8 m-70 -97.2 8.14 45.15 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 111.776 0.287 . . . . 72.42 111.776 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.84 42.67 60.46 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.54 -0.3 . . . . 71.41 113.83 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.2 mt -120.01 159.56 24.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.007 0.432 . . . . 62.42 111.832 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -89.63 112.6 23.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.297 -0.41 . . . . 64.11 110.7 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 12.5 p -59.2 -36.88 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 112.159 0.429 . . . . 71.44 112.159 -177.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.22 -38.63 89.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.828 0.346 . . . . 74.31 111.846 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 14.8 t70 -65.17 -35.04 79.83 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.146 0.498 . . . . 71.21 110.715 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -71.03 -51.56 34.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 115.8 -0.637 . . . . 74.44 111.078 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 83.9 mt -52.71 -36.01 56.68 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.199 0.524 . . . . 74.21 110.972 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 16.7 ttp180 -51.24 -53.09 38.6 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.496 -0.774 . . . . 72.23 111.723 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.95 -38.3 69.82 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.042 0.449 . . . . 74.44 110.865 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.03 -51.27 70.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.105 -0.498 . . . . 74.33 111.989 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 5' ' ' PHE . 59.0 m-80 -69.55 -30.83 68.72 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.835 0.35 . . . . 75.24 111.101 177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HB1' ' HD2' ' A' ' 68' ' ' HIS . . . -58.07 -31.97 67.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.677 -0.238 . . . . 44.51 111.472 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.52 -34.86 69.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.172 0.51 . . . . 73.24 111.329 175.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.63 -35.55 24.53 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.16 -0.473 . . . . 55.14 111.882 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.9 mt -75.05 -28.59 60.45 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.289 -0.414 . . . . 74.04 111.973 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 54.63 80.79 0.12 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.207 0.527 . . . . 64.44 111.405 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.438 ' HD2' ' HB1' ' A' ' 63' ' ' ALA . 20.5 p80 -82.61 106.25 14.31 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.386 0.513 . . . . 72.24 112.386 -173.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -96.4 -24.51 16.1 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.829 0.347 . . . . 65.42 111.03 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -104.99 -177.13 3.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.78 0.324 . . . . 71.5 110.499 174.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -135.75 161.54 35.28 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.043 0.449 . . . . 72.12 111.654 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -98.55 99.69 10.86 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.283 -0.417 . . . . 71.4 110.38 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.915 -0.564 . . . . 62.02 112.23 -178.312 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 112.29 0.478 . . . . 74.42 112.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -63.38 156.02 27.15 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.941 0.4 . . . . 53.21 111.987 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -81.33 175.64 10.41 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.223 0.535 . . . . 65.52 112.333 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -89.85 -27.32 20.01 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.213 0.53 . . . . 64.02 110.337 172.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -126.85 117.45 22.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.685 -0.688 . . . . 73.43 110.228 174.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.593 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.3 t -122.08 159.76 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.943 0.402 . . . . 65.33 111.937 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.6 ptpt -60.05 -26.81 66.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.027 0.442 . . . . 64.33 111.389 177.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -62.8 -43.76 97.96 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.48 -0.782 . . . . 53.13 112.561 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.593 ' HG2' ' O ' ' A' ' 6' ' ' THR . 20.5 ptm -73.47 154.2 40.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.286 0.565 . . . . 62.3 111.962 -176.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.569 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 63.9 p -83.47 163.97 20.16 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.019 -0.537 . . . . 53.21 112.233 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -55.46 -41.86 73.52 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.082 -0.508 . . . . 74.21 111.183 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 16' ' ' GLN . . . -57.68 -51.23 70.4 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.388 -0.369 . . . . 64.5 111.642 177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HG3' ' OG1' ' A' ' 10' ' ' THR . 25.3 mt-30 -59.19 -43.77 92.21 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.883 0.373 . . . . 71.55 111.436 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.8 -50.62 72.65 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.926 0.393 . . . . 50.43 111.252 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.46 -37.31 77.85 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.083 -0.508 . . . . 74.01 111.911 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 27.4 mm-40 -77.2 -24.45 51.35 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.09 0.404 . . . . 75.23 112.09 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.2 m -78.23 -36.77 46.69 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.097 0.475 . . . . 72.33 110.685 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -152.61 109.12 2.74 Favored Pre-proline 0 N--CA 1.47 0.539 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.964 175.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.5 -26.28 28.08 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.488 2.125 . . . . 75.51 112.96 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.86 -25.08 61.09 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.479 -0.391 . . . . 70.02 113.12 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.88 -31.77 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-O 120.789 0.328 . . . . 72.12 111.192 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.73 -50.76 69.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.767 0.318 . . . . 54.33 111.385 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.79 -35.32 91.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.085 -0.578 . . . . 62.21 112.868 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.82 -52.57 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.831 0.348 . . . . 73.44 111.114 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -55.59 -43.29 75.87 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.982 0.42 . . . . 61.44 110.89 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -59.44 -42.04 91.02 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.342 -0.39 . . . . 74.33 111.082 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.5 t -60.38 -36.05 77.16 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 116.266 -0.425 . . . . 70.42 111.354 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' OH ' ' NH2' ' A' ' 59' ' ' ARG . 73.0 m-85 -99.16 26.12 6.19 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.202 0.445 . . . . 75.42 112.202 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 63.48 12.72 6.6 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.616 0.599 . . . . 75.21 112.616 171.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 33' ' ' ILE . 93.5 mt -88.0 2.71 51.1 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.762 -0.587 . . . . 73.34 111.852 177.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.39 -25.6 49.34 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 121.288 -0.482 . . . . 72.41 113.861 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 70.1 m -73.86 0.81 12.17 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.832 0.679 . . . . 74.04 112.832 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 30' ' ' LEU . 21.5 pt -55.02 -31.14 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 120.803 0.335 . . . . 73.15 111.7 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.96 -50.73 56.57 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.965 -0.636 . . . . 72.41 112.348 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.73 -32.42 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.245 0.461 . . . . 74.31 112.245 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.8 ptm -94.75 1.09 55.44 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 111.914 0.339 . . . . 72.52 111.914 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.63 21.71 71.11 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.375 -0.441 . . . . 61.33 114.084 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 18.0 0.18 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.897 0.703 . . . . 75.05 112.897 -176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -59.9 -32.46 70.76 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.905 0.383 . . . . 72.22 111.534 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.48 8.39 38.95 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.259 -0.428 . . . . 73.14 111.832 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 45' ' ' GLN . 32.4 tt0 -104.46 143.24 33.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.957 0.408 . . . . 74.23 111.237 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.569 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 48.0 m -65.97 150.56 48.45 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.318 -0.401 . . . . 72.52 111.993 -178.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.5 mt -50.87 -49.01 60.09 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.051 0.76 . . . . 73.42 113.051 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 35.8 tt0 -61.34 -39.79 91.87 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 111.915 0.339 . . . . 41.4 111.915 -177.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 42' ' ' SER . 49.0 mt-30 -62.93 -52.99 60.92 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.532 0.206 . . . . 60.33 111.412 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.12 95.07 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 121.202 -0.523 . . . . 43.24 112.771 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.27 78.51 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.03 0.443 . . . . 74.43 110.725 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.489 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -60.99 -36.52 79.67 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.209 -0.45 . . . . 72.12 111.264 177.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.37 -30.99 67.22 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.438 -0.346 . . . . 64.41 111.562 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -100.4 6.33 44.45 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.94 0.348 . . . . 70.2 111.94 175.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.46 41.83 90.02 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.583 -0.341 . . . . 72.4 113.498 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -122.93 148.21 45.73 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.781 0.324 . . . . 72.0 111.287 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -80.93 115.24 20.31 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.195 0.521 . . . . 74.15 111.066 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' HG ' ' A' ' 58' ' ' LEU . 13.9 p -57.45 -28.72 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.912 -0.585 . . . . 60.45 112.237 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.5 -41.69 90.46 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.306 0.484 . . . . 73.23 112.306 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.31 -32.28 69.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.102 0.477 . . . . 73.15 110.682 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.434 HD13 HD11 ' A' ' 30' ' ' LEU . 57.2 mt -68.7 -48.89 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.067 -0.515 . . . . 73.35 110.591 175.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HG ' HG22 ' A' ' 54' ' ' VAL . 91.1 mt -55.22 -39.78 70.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.356 -0.383 . . . . 71.43 111.358 178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' NH2' ' OH ' ' A' ' 28' ' ' TYR . 34.9 ttp85 -52.0 -53.32 43.08 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.125 0.488 . . . . 52.4 111.107 174.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -32.23 70.68 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.913 -0.585 . . . . 71.3 110.881 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 89.1 mt -69.07 -52.15 31.47 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.933 0.346 . . . . 53.44 111.933 177.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -64.75 -24.6 67.61 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.662 0.268 . . . . 75.11 111.398 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.51 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.607 0.241 . . . . 73.33 111.394 173.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.4 -17.86 63.03 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.857 0.36 . . . . 74.4 111.407 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.2 -47.53 5.71 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.873 0.368 . . . . 62.54 111.504 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.07 -46.26 78.37 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.184 -0.462 . . . . 44.03 111.399 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 57.77 19.14 5.35 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.891 1.071 . . . . 74.25 113.891 173.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -83.29 -6.37 59.45 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 122.001 -0.437 . . . . 64.41 110.689 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 69.87 -70.81 0.14 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.459 0.704 . . . . 71.42 112.484 173.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 p80 60.86 -55.17 0.09 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.385 1.474 . . . . 72.43 114.07 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -71.94 95.49 1.57 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.555 -0.715 . . . . 74.43 111.114 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -121.6 74.31 1.11 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.557 0.694 . . . . 71.1 112.207 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 . . . . . 0 C--O 1.25 1.079 0 CA-C-N 115.419 -0.809 . . . . 64.12 110.106 173.675 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 ttp . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.493 0.187 . . . . 74.42 110.736 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 t -119.66 150.03 41.0 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.993 0.425 . . . . 71.53 112.077 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -91.75 163.16 14.18 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.007 -0.542 . . . . 70.44 110.831 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -67.6 -33.41 74.93 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.02 0.438 . . . . 74.13 111.298 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.574 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 95.4 m-85 -121.46 119.76 32.98 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.727 175.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 9' ' ' MET . 4.2 t -121.03 170.04 9.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.265 0.555 . . . . 64.51 112.189 -176.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.803 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 16.9 ptpt -73.32 -17.61 61.28 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.036 -0.529 . . . . 65.11 111.876 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -81.56 -36.52 28.99 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.593 0.59 . . . . 72.43 112.593 -176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.574 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 20.6 ptm -67.79 152.1 46.13 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.098 0.475 . . . . 71.34 112.111 -176.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 44.2 p -86.23 162.05 18.5 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.278 0.473 . . . . 63.45 112.278 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -57.6 -43.1 84.4 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.231 -0.441 . . . . 72.31 111.717 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.56 -46.9 83.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.835 0.35 . . . . 74.2 111.313 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -58.62 -51.0 71.78 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.853 0.359 . . . . 73.53 110.956 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -56.19 -46.99 79.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.404 -0.362 . . . . 73.13 111.901 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 HD12 ' A' ' 25' ' ' LEU . 93.4 mt -57.53 -34.63 69.33 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.277 0.473 . . . . 71.5 112.277 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -94.08 -4.72 48.87 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.085 0.402 . . . . 63.03 112.085 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -79.59 -52.8 7.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.887 0.375 . . . . 73.4 110.731 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.29 134.94 16.84 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 122.618 0.367 . . . . 74.31 111.096 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -59.87 -34.87 95.29 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.804 2.336 . . . . 73.11 113.313 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.15 -19.13 65.76 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.184 -0.531 . . . . 44.41 113.822 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 14' ' ' ALA . 98.7 t -58.25 -41.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 111.964 0.357 . . . . 70.45 111.964 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 26' ' ' ARG . . . -51.8 -55.77 17.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.863 0.363 . . . . 74.05 111.823 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.31 -39.32 94.53 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.352 -0.452 . . . . 73.32 113.03 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.35 -46.84 95.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.961 0.41 . . . . 72.24 111.127 177.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 HD21 ' A' ' 15' ' ' LEU . 82.7 mt -57.98 -46.64 84.84 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.87 0.367 . . . . 71.23 110.763 177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 59.6 mtp180 -62.11 -32.05 72.57 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.929 0.395 . . . . 72.43 111.171 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.2 t -62.11 -31.17 71.59 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.904 0.383 . . . . 64.21 111.3 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.471 ' HB3' HD13 ' A' ' 52' ' ' LEU . 77.2 m-85 -96.32 15.48 21.05 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 111.774 0.287 . . . . 71.41 111.774 175.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.1 t30 62.62 35.81 14.05 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.521 0.677 . . . . 73.31 111.327 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 33' ' ' ILE . 89.8 mt -102.7 11.88 37.06 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.053 -0.521 . . . . 71.3 111.555 176.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.47 -23.13 68.31 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 121.186 -0.53 . . . . 54.24 113.576 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 36' ' ' MET . 48.8 t -74.79 -0.24 17.62 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.363 0.505 . . . . 55.13 112.363 -177.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 30' ' ' LEU . 17.0 pt -52.32 -27.12 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.497 0.555 . . . . 72.13 112.497 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.16 -50.08 29.96 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.057 -0.592 . . . . 74.42 112.613 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.99 -42.95 79.98 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.991 0.425 . . . . 74.03 112.055 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 32' ' ' CYS . 26.7 ptm -79.3 0.65 27.98 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 111.922 0.341 . . . . 64.11 111.922 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.81 28.35 69.98 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 114.068 0.387 . . . . 60.11 114.068 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.73 17.47 0.7 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.315 0.487 . . . . 75.13 112.315 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -65.29 -27.89 68.94 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.796 0.332 . . . . 74.4 111.571 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -91.73 -7.64 49.16 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.878 0.371 . . . . 72.42 111.564 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -93.13 148.68 21.81 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.993 0.425 . . . . 75.3 111.626 -176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.619 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 86.9 p -76.74 155.01 33.56 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.924 0.392 . . . . 64.23 111.8 -177.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.08 -40.81 67.55 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.276 -0.42 . . . . 41.21 111.827 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 41.9 tt0 -65.27 -49.54 69.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 111.934 0.346 . . . . 53.45 111.934 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -60.69 -45.3 94.69 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.903 0.383 . . . . 73.53 111.058 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.47 92.95 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 121.116 -0.564 . . . . 34.21 112.588 175.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.86 52.72 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.755 0.312 . . . . 74.14 111.177 176.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -55.79 -41.66 74.45 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.486 -0.324 . . . . 75.41 111.258 176.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.44 99.1 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.021 0.438 . . . . 61.21 111.877 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -90.63 7.63 38.33 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.367 0.506 . . . . 55.2 112.367 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.65 51.02 57.4 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.38 -0.438 . . . . 64.02 113.634 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 28' ' ' TYR . 83.6 mt -126.97 171.52 11.25 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.1 0.476 . . . . 72.03 111.708 -177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -100.98 110.46 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.071 -0.513 . . . . 72.53 110.218 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.7 p -57.26 -36.22 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 111.839 0.311 . . . . 73.44 111.839 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.61 -37.45 87.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.014 0.435 . . . . 65.51 111.482 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.1 t70 -74.95 -38.59 61.69 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.109 0.48 . . . . 73.25 110.798 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.24 -50.23 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 120.975 0.416 . . . . 72.34 110.503 175.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 88.0 mt -58.24 -34.0 69.97 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.323 -0.399 . . . . 62.43 111.341 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 18.7 ttp180 -54.97 -49.85 70.4 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.06 0.457 . . . . 75.02 111.001 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.39 -40.29 77.46 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.178 -0.464 . . . . 54.25 111.112 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.76 -51.88 65.39 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.178 -0.465 . . . . 75.22 112.164 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -67.16 -25.65 66.26 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.096 -0.377 . . . . 55.43 111.336 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.77 -26.31 65.6 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.712 0.292 . . . . 43.23 111.232 174.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.07 -26.41 67.48 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.094 0.473 . . . . 73.51 111.508 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.74 -37.36 11.3 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.275 -0.42 . . . . 34.12 111.766 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.87 -49.6 11.71 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.919 0.39 . . . . 74.34 111.491 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.12 17.39 2.68 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.07 0.767 . . . . 54.5 113.07 176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -58.75 134.73 57.09 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.641 0.258 . . . . 62.22 110.788 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -66.2 158.04 29.83 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.404 0.621 . . . . 55.23 112.28 -173.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -81.55 102.14 10.41 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.022 0.749 . . . . 62.32 113.022 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -132.8 128.94 37.86 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.672 -0.695 . . . . 75.43 110.002 170.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -117.35 171.79 7.74 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.083 0.468 . . . . 71.33 112.173 -172.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.865 -0.588 . . . . 73.42 110.866 173.272 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtm . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 120.564 0.221 . . . . 70.21 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -153.08 148.23 26.76 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.048 0.452 . . . . 64.12 111.973 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -75.12 155.48 37.02 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.286 -0.415 . . . . 71.44 110.452 175.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -78.37 -29.15 47.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.225 0.536 . . . . 72.41 110.367 174.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.745 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 93.7 m-85 -126.63 123.12 36.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.859 -0.609 . . . . 73.13 110.987 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.582 ' O ' ' HG2' ' A' ' 9' ' ' MET . 3.5 t -122.6 166.78 14.3 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.135 -0.484 . . . . 52.54 111.702 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.678 ' HB2' ' HB2' ' A' ' 44' ' ' GLU . 19.3 ptpt -63.48 -28.92 70.29 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.816 0.341 . . . . 64.44 111.41 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.77 -35.96 72.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.931 -0.577 . . . . 74.42 112.49 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.745 ' SD ' ' HA ' ' A' ' 5' ' ' PHE . 22.1 ptm -71.71 148.47 46.38 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.244 0.545 . . . . 61.51 111.498 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 42' ' ' SER . 43.8 p -84.56 162.13 19.93 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.395 0.517 . . . . 64.43 112.395 -176.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -53.73 -42.29 67.95 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.296 -0.411 . . . . 74.24 111.422 176.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . . . -57.29 -48.89 77.76 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.389 -0.369 . . . . 71.24 111.325 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.26 -45.02 88.59 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.819 0.342 . . . . 73.03 111.295 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -57.02 -48.82 77.58 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.386 -0.37 . . . . 75.41 111.601 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.53 -38.86 85.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.021 0.439 . . . . 75.33 111.528 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 28.2 mm-40 -73.39 -21.22 60.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.931 0.396 . . . . 74.54 111.724 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -80.71 -52.71 7.24 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.805 0.336 . . . . 75.52 111.365 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -137.3 120.87 11.81 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 122.337 0.255 . . . . 73.24 111.256 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.92 -34.42 91.78 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.545 2.163 . . . . 75.15 113.125 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.36 -20.32 50.38 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.508 -0.377 . . . . 70.5 113.963 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG11 ' HB1' ' A' ' 14' ' ' ALA . 85.9 t -60.1 -32.76 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 122.595 -0.356 . . . . 70.13 111.623 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -51.03 67.7 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.019 0.438 . . . . 61.33 111.303 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.65 -40.16 97.58 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 116.185 -0.461 . . . . 73.53 112.683 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.37 -55.37 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 120.968 0.413 . . . . 62.3 111.173 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.29 -50.93 69.99 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.286 -0.416 . . . . 72.42 111.271 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.66 -32.32 72.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 111.801 0.296 . . . . 74.3 111.801 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.2 t -62.96 -37.96 89.17 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.218 0.533 . . . . 72.04 111.184 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HB3' HD13 ' A' ' 52' ' ' LEU . 28.1 m-85 -89.84 11.56 19.85 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.16 -0.473 . . . . 72.13 112.041 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 63.86 45.97 4.14 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.636 0.731 . . . . 73.13 111.009 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -112.38 13.27 20.26 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.879 -0.601 . . . . 72.15 110.601 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.01 -26.5 68.68 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.251 -0.5 . . . . 73.21 113.615 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.6 t -63.22 -9.96 13.54 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.507 0.558 . . . . 71.11 112.507 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.0 pt -48.13 -37.58 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 111.988 0.366 . . . . 60.25 111.988 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.13 -41.6 86.35 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.967 -0.635 . . . . 64.41 112.757 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.1 m -65.84 -52.06 53.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.761 0.315 . . . . 74.45 111.763 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.0 ptm -76.1 -10.4 59.39 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 111.899 0.333 . . . . 72.11 111.899 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.76 58.24 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.137 -0.554 . . . . 73.11 113.186 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.2 31.71 0.64 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.073 0.463 . . . . 33.3 111.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 32.5 mm-40 -62.97 -34.51 77.67 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 122.193 -0.317 . . . . 73.21 111.769 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -89.75 13.45 14.31 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.966 0.412 . . . . 72.13 111.868 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -91.05 134.12 34.76 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.651 0.262 . . . . 54.4 110.36 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 10' ' ' THR . 83.6 p -73.6 154.47 39.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.048 0.452 . . . . 55.45 111.425 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.0 mt -54.53 -40.39 68.59 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.027 -0.533 . . . . 61.04 112.413 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HB2' ' A' ' 7' ' ' LYS . 42.7 tt0 -66.66 -45.63 78.34 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 111.81 0.3 . . . . 75.54 111.81 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -55.48 -51.36 67.23 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.949 0.404 . . . . 74.51 111.268 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.77 -37.57 94.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 120.929 -0.653 . . . . 34.45 113.164 177.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.57 -60.09 3.92 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.504 -0.409 . . . . 63.05 111.435 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -59.67 -39.49 84.64 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.944 0.402 . . . . 65.5 111.587 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -30.32 68.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.228 0.455 . . . . 51.45 112.228 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -102.2 4.76 39.72 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 112.045 0.387 . . . . 72.1 112.045 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.71 32.87 39.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.3 -0.476 . . . . 75.33 113.765 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 28' ' ' TYR . 37.6 mt -117.98 163.99 15.76 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.666 0.387 . . . . 75.41 111.629 -176.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -98.75 121.02 40.17 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 110.141 -0.318 . . . . 61.4 110.141 174.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 7.5 p -53.78 -39.43 39.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 111.964 0.357 . . . . 53.14 111.964 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.74 -43.88 97.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.934 0.397 . . . . 64.43 111.457 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 31.7 t70 -62.36 -32.86 73.72 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.082 0.468 . . . . 65.32 111.103 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.3 mt -74.57 -51.21 23.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 116.112 -0.495 . . . . 62.21 110.938 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 54' ' ' VAL . 90.1 mt -54.3 -31.23 53.46 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.988 0.423 . . . . 71.05 111.153 177.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 4.6 ttp180 -50.77 -56.62 11.21 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.744 -0.662 . . . . 74.52 111.525 175.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.419 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 9.7 t70 -72.86 -40.18 65.88 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.302 -0.408 . . . . 71.34 111.038 -178.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.7 mt -56.92 -51.62 68.4 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.868 0.322 . . . . 65.24 111.868 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -68.32 -32.37 72.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.692 0.282 . . . . 61.35 110.901 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -24.75 66.03 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.628 -0.26 . . . . 70.43 111.563 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 60' ' ' ASP . 93.7 mt -69.36 -36.09 76.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.998 0.428 . . . . 73.2 111.454 175.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.71 -32.27 52.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.065 0.459 . . . . 75.24 111.762 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.9 mt -89.52 -48.66 7.16 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.05 -0.523 . . . . 73.53 111.932 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.57 94.8 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.306 0.642 . . . . 73.34 111.963 -173.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -112.23 125.57 54.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.0 -0.546 . . . . 73.53 111.061 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -91.31 127.94 36.94 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.902 0.382 . . . . 74.34 111.053 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -80.73 -29.98 36.3 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.432 0.531 . . . . 64.31 112.432 -173.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -74.95 129.9 38.45 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.72 0.295 . . . . 65.54 111.16 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -67.09 98.45 0.58 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.356 0.502 . . . . 71.52 112.356 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 C--O 1.252 1.209 0 CA-C-O 118.666 -0.683 . . . . 74.52 110.818 172.674 . . . . . . . . 0 0 . 1 stop_ save_